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

Systemtic Name: N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-2-[(1-phenethyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-(1-phenethylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-(4-methyl-3-piperidinosulfonyl-phenyl)-2-[(1-phenethylbenzimidazol-2-yl)thio]acetamide Formula: C29H32N4O3S2 MolecularWeight: 548.71938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N2CCC4=CC=CC=C4)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N2CCC4=CC=CC=C4)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C29H32N4O3S2/c1-22-14-15-24(20-27(22)38(35,36)32-17-8-3-9-18-32)30-28(34)21-37-29-31-25-12-6-7-13-26(25)33(29)19-16-23-10-4-2-5-11-23/h2,4-7,10-15,20H,3,8-9,16-19,21H2,1H3,(H,30,34)