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

Systemtic Name: N-(2-methoxyphenyl)-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-N-(2-methoxyphenyl)-3-nitro-benzamide CAS Name: N-(2-methoxyphenyl)-3-nitro-4-[[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]benzamide IUPAC Name: 4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)-3-nitrobenzamide Traditional Name: 4-[[2-(4-benzylpiperidino)-2-keto-ethyl]thio]-N-(2-methoxyphenyl)-3-nitro-benzamide Formula: C28H29N3O5S MolecularWeight: 519.61196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)SCC(=O)N3CCC(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)SCC(=O)N3CCC(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H29N3O5S/c1-36-25-10-6-5-9-23(25)29-28(33)22-11-12-26(24(18-22)31(34)35)37-19-27(32)30-15-13-21(14-16-30)17-20-7-3-2-4-8-20/h2-12,18,21H,13-17,19H2,1H3,(H,29,33)