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

Systemtic Name: N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-ethanamide Openeye Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanyl-acetamide CAS Name: N-[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-2-[[2-(3-methylanilino)-2-oxoethyl]thio]acetamide IUPAC Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide Traditional Name: N-(4-chloro-3-pyrrolidinosulfonyl-phenyl)-2-[[2-keto-2-(m-toluidino)ethyl]thio]acetamide Formula: C21H24ClN3O4S2 MolecularWeight: 482.01596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSCC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSCC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H24ClN3O4S2/c1-15-5-4-6-16(11-15)23-20(26)13-30-14-21(27)24-17-7-8-18(22)19(12-17)31(28,29)25-9-2-3-10-25/h4-8,11-12H,2-3,9-10,13-14H2,1H3,(H,23,26)(H,24,27)