(4-methoxyphenyl)-[1-(4-methyl-3-nitro-phenyl)sulfonylpiperidin-4-yl]methanone

Systemtic Name: (4-methoxyphenyl)-[1-(4-methyl-3-nitro-phenyl)sulfonylpiperidin-4-yl]methanone Openeye Name: (4-methoxyphenyl)-[1-(4-methyl-3-nitro-phenyl)sulfonyl-4-piperidyl]methanone CAS Name: (4-methoxyphenyl)-[1-(4-methyl-3-nitrophenyl)sulfonyl-4-piperidinyl]methanone IUPAC Name: (4-methoxyphenyl)-[1-(4-methyl-3-nitrophenyl)sulfonylpiperidin-4-yl]methanone Traditional Name: (4-methoxyphenyl)-[1-(4-methyl-3-nitro-phenyl)sulfonyl-4-piperidyl]methanone Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)C3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)C3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O6S/c1-14-3-8-18(13-19(14)22(24)25)29(26,27)21-11-9-16(10-12-21)20(23)15-4-6-17(28-2)7-5-15/h3-8,13,16H,9-12H2,1-2H3