N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-2-(1-phenylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-2-[(1-phenyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-(4-methyl-3-piperidinosulfonyl-phenyl)-2-[(1-phenylbenzimidazol-2-yl)thio]acetamide Formula: C27H28N4O3S2 MolecularWeight: 520.66622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N2C4=CC=CC=C4)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N2C4=CC=CC=C4)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C27H28N4O3S2/c1-20-14-15-21(18-25(20)36(33,34)30-16-8-3-9-17-30)28-26(32)19-35-27-29-23-12-6-7-13-24(23)31(27)22-10-4-2-5-11-22/h2,4-7,10-15,18H,3,8-9,16-17,19H2,1H3,(H,28,32)