[4-[(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-[(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[(4-methoxy-3-morpholinosulfonyl-phenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[[4-methoxy-3-(4-morpholinylsulfonyl)anilino]-oxomethyl]phenyl] ester IUPAC Name: [4-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[(4-methoxy-3-morpholinosulfonyl-phenyl)carbamoyl]phenyl] ester Formula: C26H28N2O8S2 MolecularWeight: 560.63912

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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)OC)S(=O)(=O)N4CCOCC4

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O8S2/c1-18-4-5-19(2)24(16-18)38(32,33)36-22-9-6-20(7-10-22)26(29)27-21-8-11-23(34-3)25(17-21)37(30,31)28-12-14-35-15-13-28/h4-11,16-17H,12-15H2,1-3H3,(H,27,29)