methyl 5-nitro-2-[4-(phenylsulfonylamino)piperidin-1-yl]benzoate

Systemtic Name: methyl 5-nitro-2-[4-(phenylsulfonylamino)piperidin-1-yl]benzoate Openeye Name: methyl 2-[4-(benzenesulfonamido)-1-piperidyl]-5-nitro-benzoate CAS Name: 2-[4-(benzenesulfonamido)-1-piperidinyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[4-(benzenesulfonamido)piperidin-1-yl]-5-nitrobenzoate Traditional Name: 2-[4-(benzenesulfonamido)piperidino]-5-nitro-benzoic acid methyl ester Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCC(CC2)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCC(CC2)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H21N3O6S/c1-28-19(23)17-13-15(22(24)25)7-8-18(17)21-11-9-14(10-12-21)20-29(26,27)16-5-3-2-4-6-16/h2-8,13-14,20H,9-12H2,1H3