N-(2-methoxyphenyl)-1-[4-(3-methylbutylsulfanyl)-3-nitro-phenyl]carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-methoxyphenyl)-1-[4-(3-methylbutylsulfanyl)-3-nitro-phenyl]carbonyl-piperidine-4-carboxamide Openeye Name: 1-(4-isopentylsulfanyl-3-nitro-benzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide CAS Name: N-(2-methoxyphenyl)-1-[[4-(3-methylbutylthio)-3-nitrophenyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(2-methoxyphenyl)-1-[4-(3-methylbutylsulfanyl)-3-nitrobenzoyl]piperidine-4-carboxamide Traditional Name: 1-[4-(isoamylthio)-3-nitro-benzoyl]-N-(2-methoxyphenyl)isonipecotamide 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)C(=O)NC3=CC=CC=C3OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3OC)[N+](=O)[O-]

InChI

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