[4-[(2-methyl-6-propan-2-yl-phenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-[(2-methyl-6-propan-2-yl-phenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[(2-isopropyl-6-methyl-phenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[(2-methyl-6-propan-2-ylanilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[(2-isopropyl-6-methyl-phenyl)carbamoyl]phenyl] ester Formula: C25H27NO4S MolecularWeight: 437.55118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=C(C=CC=C3C(C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=C(C=CC=C3C(C)C)C

InChI

InChI=1S/C25H27NO4S/c1-16(2)22-8-6-7-19(5)24(22)26-25(27)20-11-13-21(14-12-20)30-31(28,29)23-15-17(3)9-10-18(23)4/h6-16H,1-5H3,(H,26,27)