N-(4-methylphenyl)-3-nitro-4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-benzamide

Systemtic Name: N-(4-methylphenyl)-3-nitro-4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-benzamide Openeye Name: 3-nitro-4-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-N-(p-tolyl)benzamide CAS Name: N-(4-methylphenyl)-3-nitro-4-[[2-oxo-2-(1-piperidinyl)ethyl]thio]benzamide IUPAC Name: N-(4-methylphenyl)-3-nitro-4-(2-oxo-2-piperidin-1-ylethyl)sulfanylbenzamide Traditional Name: 4-[(2-keto-2-piperidino-ethyl)thio]-3-nitro-N-(p-tolyl)benzamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)SCC(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)SCC(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O4S/c1-15-5-8-17(9-6-15)22-21(26)16-7-10-19(18(13-16)24(27)28)29-14-20(25)23-11-3-2-4-12-23/h5-10,13H,2-4,11-12,14H2,1H3,(H,22,26)