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

Systemtic Name: 4-[2-(4-benzamidopiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-(4-benzamido-1-piperidyl)-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-(4-benzamido-1-piperidinyl)-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-(4-benzamidopiperidino)-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C2=CC=CC=C2)C(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1NC(=O)C2=CC=CC=C2)C(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O5S/c22-20(27)15-6-7-18(17(12-15)25(29)30)31-13-19(26)24-10-8-16(9-11-24)23-21(28)14-4-2-1-3-5-14/h1-7,12,16H,8-11,13H2,(H2,22,27)(H,23,28)