N-(4-methylphenyl)-2-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]sulfanyl-ethanamide

Systemtic Name: N-(4-methylphenyl)-2-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]sulfanyl-ethanamide Openeye Name: 2-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]sulfanyl-N-(p-tolyl)acetamide CAS Name: N-(4-methylphenyl)-2-[[2-oxo-2-[4-(1-pyrrolidinylsulfonyl)anilino]ethyl]thio]acetamide IUPAC Name: N-(4-methylphenyl)-2-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]sulfanylacetamide Traditional Name: 2-[[2-keto-2-(4-pyrrolidinosulfonylanilino)ethyl]thio]-N-(p-tolyl)acetamide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S2/c1-16-4-6-17(7-5-16)22-20(25)14-29-15-21(26)23-18-8-10-19(11-9-18)30(27,28)24-12-2-3-13-24/h4-11H,2-3,12-15H2,1H3,(H,22,25)(H,23,26)