2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-(1H-benzimidazol-2-ylthio)-N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(1H-benzimidazol-2-ylthio)-N-(2-methyl-5-piperidinosulfonyl-phenyl)acetamide Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H24N4O3S2/c1-15-9-10-16(30(27,28)25-11-5-2-6-12-25)13-19(15)22-20(26)14-29-21-23-17-7-3-4-8-18(17)24-21/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,22,26)(H,23,24)