3-nitro-4-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-benzamide

Systemtic Name: 3-nitro-4-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-benzamide Openeye Name: 4-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 3-nitro-4-[[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]benzamide IUPAC Name: 4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-(4-benzylpiperidino)-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O4S/c22-21(26)17-6-7-19(18(13-17)24(27)28)29-14-20(25)23-10-8-16(9-11-23)12-15-4-2-1-3-5-15/h1-7,13,16H,8-12,14H2,(H2,22,26)