[1-methyl-4-(4-nitrophenyl)piperidin-2-yl]methyl benzenesulfonate

Systemtic Name: [1-methyl-4-(4-nitrophenyl)piperidin-2-yl]methyl benzenesulfonate Openeye Name: [1-methyl-4-(4-nitrophenyl)-2-piperidyl]methyl benzenesulfonate CAS Name: benzenesulfonic acid [1-methyl-4-(4-nitrophenyl)-2-piperidinyl]methyl ester IUPAC Name: [1-methyl-4-(4-nitrophenyl)piperidin-2-yl]methyl benzenesulfonate Traditional Name: benzenesulfonic acid [1-methyl-4-(4-nitrophenyl)-2-piperidyl]methyl ester Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1COS(=O)(=O)C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1CCC(CC1COS(=O)(=O)C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N2O5S/c1-20-12-11-16(15-7-9-17(10-8-15)21(22)23)13-18(20)14-26-27(24,25)19-5-3-2-4-6-19/h2-10,16,18H,11-14H2,1H3