[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[4-[(2-methyl-1-oxopropyl)amino]anilino]-oxomethyl]phenyl] ester IUPAC Name: [4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[[4-(isobutyrylamino)phenyl]carbamoyl]phenyl] ester Formula: C23H21N3O7S MolecularWeight: 483.49374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O7S/c1-15(2)22(27)24-17-8-10-18(11-9-17)25-23(28)16-6-12-20(13-7-16)33-34(31,32)21-5-3-4-19(14-21)26(29)30/h3-15H,1-2H3,(H,24,27)(H,25,28)