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

Systemtic Name: [4-[(2-morpholin-4-ylphenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[(2-morpholinophenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[[2-(4-morpholinyl)anilino]-oxomethyl]phenyl] ester IUPAC Name: [4-[(2-morpholin-4-ylphenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[(2-morpholinophenyl)carbamoyl]phenyl] ester Formula: C25H26N2O5S MolecularWeight: 466.54934

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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=C3N4CCOCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3N4CCOCC4

InChI

InChI=1S/C25H26N2O5S/c1-18-7-8-19(2)24(17-18)33(29,30)32-21-11-9-20(10-12-21)25(28)26-22-5-3-4-6-23(22)27-13-15-31-16-14-27/h3-12,17H,13-16H2,1-2H3,(H,26,28)