N-(3-methylphenyl)-2-[2-oxidanylidene-2-[(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)amino]ethyl]sulfanyl-ethanamide

Systemtic Name: N-(3-methylphenyl)-2-[2-oxidanylidene-2-[(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)amino]ethyl]sulfanyl-ethanamide Openeye Name: 2-[2-(2-hydroxy-5-pyrrolidin-1-ylsulfonyl-anilino)-2-oxo-ethyl]sulfanyl-N-(m-tolyl)acetamide CAS Name: 2-[[2-[2-hydroxy-5-(1-pyrrolidinylsulfonyl)anilino]-2-oxoethyl]thio]-N-(3-methylphenyl)acetamide IUPAC Name: 2-[2-(2-hydroxy-5-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide Traditional Name: 2-[[2-(2-hydroxy-5-pyrrolidinosulfonyl-anilino)-2-keto-ethyl]thio]-N-(m-tolyl)acetamide Formula: C21H25N3O5S2 MolecularWeight: 463.5703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5S2/c1-15-5-4-6-16(11-15)22-20(26)13-30-14-21(27)23-18-12-17(7-8-19(18)25)31(28,29)24-9-2-3-10-24/h4-8,11-12,25H,2-3,9-10,13-14H2,1H3,(H,22,26)(H,23,27)