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

Systemtic Name: [4-[[4-(cyclopropylcarbamoyl)phenyl]methyl-methyl-carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[[4-(cyclopropylcarbamoyl)phenyl]methyl-methyl-carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[[[4-[(cyclopropylamino)-oxomethyl]phenyl]methyl-methylamino]-oxomethyl]phenyl] ester IUPAC Name: [4-[[4-(cyclopropylcarbamoyl)phenyl]methyl-methylcarbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[[4-(cyclopropylcarbamoyl)benzyl]-methyl-carbamoyl]phenyl] ester Formula: C27H28N2O5S MolecularWeight: 492.58662

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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)N(C)CC3=CC=C(C=C3)C(=O)NC4CC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)N(C)CC3=CC=C(C=C3)C(=O)NC4CC4

InChI

InChI=1S/C27H28N2O5S/c1-18-4-5-19(2)25(16-18)35(32,33)34-24-14-10-22(11-15-24)27(31)29(3)17-20-6-8-21(9-7-20)26(30)28-23-12-13-23/h4-11,14-16,23H,12-13,17H2,1-3H3,(H,28,30)