[4-(2-benzamidoethylcarbamoyl)phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-(2-benzamidoethylcarbamoyl)phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-(2-benzamidoethylcarbamoyl)phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[(2-benzamidoethylamino)-oxomethyl]phenyl] ester IUPAC Name: [4-(2-benzamidoethylcarbamoyl)phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-(2-benzamidoethylcarbamoyl)phenyl] ester Formula: C24H24N2O5S MolecularWeight: 452.52276

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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)NCCNC(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O5S/c1-17-8-9-18(2)22(16-17)32(29,30)31-21-12-10-20(11-13-21)24(28)26-15-14-25-23(27)19-6-4-3-5-7-19/h3-13,16H,14-15H2,1-2H3,(H,25,27)(H,26,28)