4-(3-chlorophenyl)sulfanyl-3-nitro-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]benzamide

Systemtic Name: 4-(3-chlorophenyl)sulfanyl-3-nitro-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]benzamide Openeye Name: 4-(3-chlorophenyl)sulfanyl-3-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide CAS Name: 4-[(3-chlorophenyl)thio]-3-nitro-N-[3-(2-oxo-1-pyrrolidinyl)propyl]benzamide IUPAC Name: 4-(3-chlorophenyl)sulfanyl-3-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide Traditional Name: 4-[(3-chlorophenyl)thio]-N-[3-(2-ketopyrrolidino)propyl]-3-nitro-benzamide Formula: C20H20ClN3O4S MolecularWeight: 433.9085

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CCCNC(=O)C2=CC(=C(C=C2)SC3=CC(=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CC(=O)N(C1)CCCNC(=O)C2=CC(=C(C=C2)SC3=CC(=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H20ClN3O4S/c21-15-4-1-5-16(13-15)29-18-8-7-14(12-17(18)24(27)28)20(26)22-9-3-11-23-10-2-6-19(23)25/h1,4-5,7-8,12-13H,2-3,6,9-11H2,(H,22,26)