3-methoxy-N-[1-[4-(3-methylbutylsulfanyl)-3-nitro-phenyl]carbonylpiperidin-4-yl]benzamide

Systemtic Name: 3-methoxy-N-[1-[4-(3-methylbutylsulfanyl)-3-nitro-phenyl]carbonylpiperidin-4-yl]benzamide Openeye Name: N-[1-(4-isopentylsulfanyl-3-nitro-benzoyl)-4-piperidyl]-3-methoxy-benzamide CAS Name: 3-methoxy-N-[1-[[4-(3-methylbutylthio)-3-nitrophenyl]-oxomethyl]-4-piperidinyl]benzamide IUPAC Name: 3-methoxy-N-[1-[4-(3-methylbutylsulfanyl)-3-nitrobenzoyl]piperidin-4-yl]benzamide Traditional Name: N-[1-[4-(isoamylthio)-3-nitro-benzoyl]-4-piperidyl]-3-methoxy-benzamide Formula: C25H31N3O5S MolecularWeight: 485.59574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)N2CCC(CC2)NC(=O)C3=CC(=CC=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)N2CCC(CC2)NC(=O)C3=CC(=CC=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C25H31N3O5S/c1-17(2)11-14-34-23-8-7-19(16-22(23)28(31)32)25(30)27-12-9-20(10-13-27)26-24(29)18-5-4-6-21(15-18)33-3/h4-8,15-17,20H,9-14H2,1-3H3,(H,26,29)