CCS(=O)(=O)N1CCN(Cc2cnc(NC(=O)N(C3CCCCC3)C3CC[NH2+]CC3)s2)CC1

Nombre: 4-{1 -cyclohexyl-3-[5-(4-ethanesulfonyl-piperazin-1-ylmethyl)-thiazol-2-yl]-ureido}-piperidinium

IUPAC: 1-cyclohexyl-3-[5-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-1-piperidin-1-ium-4-ylurea

SMILES: CCS(=O)(=O)N1CCN(Cc2cnc(NC(=O)N(C3CCCCC3)C3CC[NH2+]CC3)s2)CC1

Canonical SMILES: CCS(=O)(=O)N1CCN(CC1)CC2=CN=C(S2)NC(=O)N(C3CCCCC3)C4CC[NH2+]CC4

Fórmula molecular: C22H39N6O3S2+

Masa molecular: 499.70

InChIKey: RWKCRKSESGJQQA-UHFFFAOYSA-O

InChI:

InChI=1S/C22H38N6O3S2/c1-2-33(30,31)27-14-12-26(13-15-27)17-20-16-24-21(32-20)25-22(29)28(18-6-4-3-5-7-18)19-8-10-23-11-9-19/h16,18-19,23H,2-15,17H2,1H3,(H,24,25,29)/p+1

PubChem CID: 86611199 →

Sinónimos

RWKCRKSESGJQQA-UHFFFAOYSA-O4-{1 -cyclohexyl-3-[5-(4-ethanesulfonyl-piperazin-1-ylmethyl)-thiazol-2-yl]-ureido}-piperidinium4-{1-cyclohexyl-3-[5-(4-ethanesulfonyl-piperazin-1-ylmethyl)-thiazol-2-yl]-ureido}-piperidinium

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