(4-methylsulfanyl-3-nitro-phenyl)-[4-[1-(4-phenylmethoxybutyl)imidazol-2-yl]piperidin-1-yl]methanone

Systemtic Name: (4-methylsulfanyl-3-nitro-phenyl)-[4-[1-(4-phenylmethoxybutyl)imidazol-2-yl]piperidin-1-yl]methanone Openeye Name: [4-[1-(4-benzyloxybutyl)imidazol-2-yl]-1-piperidyl]-(4-methylsulfanyl-3-nitro-phenyl)methanone CAS Name: [4-(methylthio)-3-nitrophenyl]-[4-[1-(4-phenylmethoxybutyl)-2-imidazolyl]-1-piperidinyl]methanone IUPAC Name: (4-methylsulfanyl-3-nitrophenyl)-[4-[1-(4-phenylmethoxybutyl)imidazol-2-yl]piperidin-1-yl]methanone Traditional Name: [4-[1-(4-benzoxybutyl)imidazol-2-yl]piperidino]-[4-(methylthio)-3-nitro-phenyl]methanone Formula: C27H32N4O4S MolecularWeight: 508.63238

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C3=NC=CN3CCCCOCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C3=NC=CN3CCCCOCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H32N4O4S/c1-36-25-10-9-23(19-24(25)31(33)34)27(32)30-15-11-22(12-16-30)26-28-13-17-29(26)14-5-6-18-35-20-21-7-3-2-4-8-21/h2-4,7-10,13,17,19,22H,5-6,11-12,14-16,18,20H2,1H3