N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanyl-acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-[[2-(3-methylanilino)-2-oxoethyl]thio]acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[[2-keto-2-(m-toluidino)ethyl]thio]acetamide Formula: C23H29N3O4S2 MolecularWeight: 475.62406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H29N3O4S2/c1-18-7-6-8-20(15-18)25-23(28)17-31-16-22(27)24-19-9-11-21(12-10-19)32(29,30)26-13-4-2-3-5-14-26/h6-12,15H,2-5,13-14,16-17H2,1H3,(H,24,27)(H,25,28)