N-(3-methylphenyl)-2-[2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethyl]sulfanyl-ethanamide

Systemtic Name: N-(3-methylphenyl)-2-[2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethyl]sulfanyl-ethanamide Openeye Name: N-(m-tolyl)-2-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethyl]sulfanyl-acetamide CAS Name: N-(3-methylphenyl)-2-[[2-oxo-2-[4-(1-pyrrolidinylsulfonyl)-1-piperazinyl]ethyl]thio]acetamide IUPAC Name: N-(3-methylphenyl)-2-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethyl]sulfanylacetamide Traditional Name: 2-[[2-keto-2-(4-pyrrolidinosulfonylpiperazino)ethyl]thio]-N-(m-tolyl)acetamide Formula: C19H28N4O4S2 MolecularWeight: 440.58002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSCC(=O)N2CCN(CC2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSCC(=O)N2CCN(CC2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H28N4O4S2/c1-16-5-4-6-17(13-16)20-18(24)14-28-15-19(25)21-9-11-23(12-10-21)29(26,27)22-7-2-3-8-22/h4-6,13H,2-3,7-12,14-15H2,1H3,(H,20,24)