[4-[(3-aminocarbonylphenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-[(3-aminocarbonylphenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[(3-carbamoylphenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[(3-carbamoylanilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[(3-carbamoylphenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[(3-carbamoylphenyl)carbamoyl]phenyl] ester Formula: C22H20N2O5S MolecularWeight: 424.4696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)N

InChI

InChI=1S/C22H20N2O5S/c1-14-6-7-15(2)20(12-14)30(27,28)29-19-10-8-16(9-11-19)22(26)24-18-5-3-4-17(13-18)21(23)25/h3-13H,1-2H3,(H2,23,25)(H,24,26)