[4-(4-methylpiperidin-1-yl)carbonylphenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-(4-methylpiperidin-1-yl)carbonylphenyl] 3-nitrobenzenesulfonate Openeye Name: [4-(4-methylpiperidine-1-carbonyl)phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[(4-methyl-1-piperidinyl)-oxomethyl]phenyl] ester IUPAC Name: [4-(4-methylpiperidine-1-carbonyl)phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-(4-methylpiperidine-1-carbonyl)phenyl] ester Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O6S/c1-14-9-11-20(12-10-14)19(22)15-5-7-17(8-6-15)27-28(25,26)18-4-2-3-16(13-18)21(23)24/h2-8,13-14H,9-12H2,1H3