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

Systemtic Name: [4-[[4-[(2-methoxyphenyl)carbamoyl]phenyl]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[[4-[(2-methoxyphenyl)carbamoyl]phenyl]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[[4-[(2-methoxyanilino)-oxomethyl]anilino]-oxomethyl]phenyl] ester IUPAC Name: [4-[[4-[(2-methoxyphenyl)carbamoyl]phenyl]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[[4-[(2-methoxyphenyl)carbamoyl]phenyl]carbamoyl]phenyl] ester Formula: C29H26N2O6S MolecularWeight: 530.59154

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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)C(=O)NC4=CC=CC=C4OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4OC

InChI

InChI=1S/C29H26N2O6S/c1-19-8-9-20(2)27(18-19)38(34,35)37-24-16-12-22(13-17-24)28(32)30-23-14-10-21(11-15-23)29(33)31-25-6-4-5-7-26(25)36-3/h4-18H,1-3H3,(H,30,32)(H,31,33)