(4-nitrophenyl) 4-chloranyl-3-[(2-methylphenyl)carbamoyl]benzenesulfonate

Systemtic Name: (4-nitrophenyl) 4-chloranyl-3-[(2-methylphenyl)carbamoyl]benzenesulfonate Openeye Name: (4-nitrophenyl) 4-chloro-3-(o-tolylcarbamoyl)benzenesulfonate CAS Name: 4-chloro-3-[(2-methylanilino)-oxomethyl]benzenesulfonic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 4-chloro-3-[(2-methylphenyl)carbamoyl]benzenesulfonate Traditional Name: 4-chloro-3-(o-tolylcarbamoyl)benzenesulfonic acid (4-nitrophenyl) ester Formula: C20H15ClN2O6S MolecularWeight: 446.8609

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)OC3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)OC3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H15ClN2O6S/c1-13-4-2-3-5-19(13)22-20(24)17-12-16(10-11-18(17)21)30(27,28)29-15-8-6-14(7-9-15)23(25)26/h2-12H,1H3,(H,22,24)