[4-[(4-methylpyridin-2-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[(4-methylpyridin-2-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(4-methyl-2-pyridyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[(4-methyl-2-pyridinyl)amino]-oxomethyl]phenyl] ester IUPAC Name: [4-[(4-methylpyridin-2-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(4-methyl-2-pyridyl)carbamoyl]phenyl] ester Formula: C19H15N3O6S MolecularWeight: 413.4039

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NC=C1)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H15N3O6S/c1-13-9-10-20-18(11-13)21-19(23)14-5-7-16(8-6-14)28-29(26,27)17-4-2-3-15(12-17)22(24)25/h2-12H,1H3,(H,20,21,23)