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

Systemtic Name: 3-nitro-4-[2-oxidanylidene-2-(4-phenylpiperidin-1-yl)ethyl]sulfanyl-benzamide Openeye Name: 3-nitro-4-[2-oxo-2-(4-phenyl-1-piperidyl)ethyl]sulfanyl-benzamide CAS Name: 3-nitro-4-[[2-oxo-2-(4-phenyl-1-piperidinyl)ethyl]thio]benzamide IUPAC Name: 3-nitro-4-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]sulfanylbenzamide Traditional Name: 4-[[2-keto-2-(4-phenylpiperidino)ethyl]thio]-3-nitro-benzamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=CC=C2)C(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C2=CC=CC=C2)C(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O4S/c21-20(25)16-6-7-18(17(12-16)23(26)27)28-13-19(24)22-10-8-15(9-11-22)14-4-2-1-3-5-14/h1-7,12,15H,8-11,13H2,(H2,21,25)