[4-[[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-[[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[[2-methyl-4-(4-methyl-1-piperazinyl)anilino]-oxomethyl]phenyl] ester IUPAC Name: [4-[[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[[2-methyl-4-(4-methylpiperazino)phenyl]carbamoyl]phenyl] ester Formula: C27H31N3O4S MolecularWeight: 493.61774

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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)N4CCN(CC4)C)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)N4CCN(CC4)C)C

InChI

InChI=1S/C27H31N3O4S/c1-19-5-6-20(2)26(17-19)35(32,33)34-24-10-7-22(8-11-24)27(31)28-25-12-9-23(18-21(25)3)30-15-13-29(4)14-16-30/h5-12,17-18H,13-16H2,1-4H3,(H,28,31)