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

Systemtic Name: [4-[[5-(cyclopropylcarbonylamino)-2-methyl-phenyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[[5-(cyclopropanecarbonylamino)-2-methyl-phenyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[5-[[cyclopropyl(oxo)methyl]amino]-2-methylanilino]-oxomethyl]phenyl] ester IUPAC Name: [4-[[5-(cyclopropanecarbonylamino)-2-methylphenyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[[5-(cyclopropanecarbonylamino)-2-methyl-phenyl]carbamoyl]phenyl] ester Formula: C24H21N3O7S MolecularWeight: 495.50444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CC2)NC(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CC2)NC(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H21N3O7S/c1-15-5-10-18(25-23(28)16-6-7-16)13-22(15)26-24(29)17-8-11-20(12-9-17)34-35(32,33)21-4-2-3-19(14-21)27(30)31/h2-5,8-14,16H,6-7H2,1H3,(H,25,28)(H,26,29)