[4-(3-methylbutylsulfanyl)-3-nitro-phenyl]-(4-phenylmethoxypiperidin-1-yl)methanone

Systemtic Name: [4-(3-methylbutylsulfanyl)-3-nitro-phenyl]-(4-phenylmethoxypiperidin-1-yl)methanone Openeye Name: (4-benzyloxy-1-piperidyl)-(4-isopentylsulfanyl-3-nitro-phenyl)methanone CAS Name: [4-(3-methylbutylthio)-3-nitrophenyl]-(4-phenylmethoxy-1-piperidinyl)methanone IUPAC Name: [4-(3-methylbutylsulfanyl)-3-nitrophenyl]-(4-phenylmethoxypiperidin-1-yl)methanone Traditional Name: (4-benzoxypiperidino)-[4-(isoamylthio)-3-nitro-phenyl]methanone Formula: C24H30N2O4S MolecularWeight: 442.571

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)N2CCC(CC2)OCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)N2CCC(CC2)OCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H30N2O4S/c1-18(2)12-15-31-23-9-8-20(16-22(23)26(28)29)24(27)25-13-10-21(11-14-25)30-17-19-6-4-3-5-7-19/h3-9,16,18,21H,10-15,17H2,1-2H3