[4-(piperidin-1-ylcarbamoyl)phenyl] 2-methyl-5-nitro-benzenesulfonate

Systemtic Name: [4-(piperidin-1-ylcarbamoyl)phenyl] 2-methyl-5-nitro-benzenesulfonate Openeye Name: [4-(1-piperidylcarbamoyl)phenyl] 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid [4-[oxo-(1-piperidinylamino)methyl]phenyl] ester IUPAC Name: [4-(piperidin-1-ylcarbamoyl)phenyl] 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid [4-(piperidinocarbamoyl)phenyl] ester Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)C(=O)NN3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)C(=O)NN3CCCCC3

InChI

InChI=1S/C19H21N3O6S/c1-14-5-8-16(22(24)25)13-18(14)29(26,27)28-17-9-6-15(7-10-17)19(23)20-21-11-3-2-4-12-21/h5-10,13H,2-4,11-12H2,1H3,(H,20,23)