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

Systemtic Name: [4-[(2-methyl-4-morpholin-4-yl-phenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[(2-methyl-4-morpholino-phenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[[2-methyl-4-(4-morpholinyl)anilino]-oxomethyl]phenyl] ester IUPAC Name: [4-[(2-methyl-4-morpholin-4-ylphenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[(2-methyl-4-morpholino-phenyl)carbamoyl]phenyl] ester Formula: C26H28N2O5S MolecularWeight: 480.57592

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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=C(C=C(C=C3)N4CCOCC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)N4CCOCC4)C

InChI

InChI=1S/C26H28N2O5S/c1-18-4-5-19(2)25(16-18)34(30,31)33-23-9-6-21(7-10-23)26(29)27-24-11-8-22(17-20(24)3)28-12-14-32-15-13-28/h4-11,16-17H,12-15H2,1-3H3,(H,27,29)