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

Systemtic Name: [4-[(3-cyanophenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[(3-cyanophenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[(3-cyanoanilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[(3-cyanophenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[(3-cyanophenyl)carbamoyl]phenyl] ester Formula: C22H18N2O4S MolecularWeight: 406.45432

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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#N

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O4S/c1-15-6-7-16(2)21(12-15)29(26,27)28-20-10-8-18(9-11-20)22(25)24-19-5-3-4-17(13-19)14-23/h3-13H,1-2H3,(H,24,25)