[4-[[2-methyl-5-(propanoylamino)phenyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[[2-methyl-5-(propanoylamino)phenyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[[2-methyl-5-(propanoylamino)phenyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[2-methyl-5-(1-oxopropylamino)anilino]-oxomethyl]phenyl] ester IUPAC Name: [4-[[2-methyl-5-(propanoylamino)phenyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(2-methyl-5-propionamido-phenyl)carbamoyl]phenyl] ester Formula: C23H21N3O7S MolecularWeight: 483.49374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O7S/c1-3-22(27)24-17-10-7-15(2)21(13-17)25-23(28)16-8-11-19(12-9-16)33-34(31,32)20-6-4-5-18(14-20)26(29)30/h4-14H,3H2,1-2H3,(H,24,27)(H,25,28)