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

Systemtic Name: 4-(4-methoxyphenyl)sulfanyl-3-nitro-N-[1-(phenylmethyl)piperidin-4-yl]benzamide Openeye Name: N-(1-benzyl-4-piperidyl)-4-(4-methoxyphenyl)sulfanyl-3-nitro-benzamide CAS Name: 4-[(4-methoxyphenyl)thio]-3-nitro-N-[1-(phenylmethyl)-4-piperidinyl]benzamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-4-(4-methoxyphenyl)sulfanyl-3-nitrobenzamide Traditional Name: N-(1-benzyl-4-piperidyl)-4-[(4-methoxyphenyl)thio]-3-nitro-benzamide Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NC3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NC3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H27N3O4S/c1-33-22-8-10-23(11-9-22)34-25-12-7-20(17-24(25)29(31)32)26(30)27-21-13-15-28(16-14-21)18-19-5-3-2-4-6-19/h2-12,17,21H,13-16,18H2,1H3,(H,27,30)