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

Systemtic Name: [4-[[4-(aminocarbonylamino)phenyl]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[(4-ureidophenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[[4-(carbamoylamino)anilino]-oxomethyl]phenyl] ester IUPAC Name: [4-[[4-(carbamoylamino)phenyl]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[(4-ureidophenyl)carbamoyl]phenyl] ester Formula: C22H21N3O5S MolecularWeight: 439.48424

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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=C(C=C3)NC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O5S/c1-14-3-4-15(2)20(13-14)31(28,29)30-19-11-5-16(6-12-19)21(26)24-17-7-9-18(10-8-17)25-22(23)27/h3-13H,1-2H3,(H,24,26)(H3,23,25,27)