[4-[[(2,6-dimethylphenyl)carbamoyl-(phenylmethyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[(2,6-dimethylphenyl)carbamoyl-(phenylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[benzyl-[(2,6-dimethylphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(2,6-dimethylanilino)-oxomethyl]-(phenylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[benzyl-[(2,6-dimethylphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[benzyl-[(2,6-dimethylphenyl)carbamoyl]amino]methyl]phenyl] ester Formula: C24H26N2O4S MolecularWeight: 438.53924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)N(CC2=CC=CC=C2)CC3=CC=C(C=C3)OS(=O)(=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)N(CC2=CC=CC=C2)CC3=CC=C(C=C3)OS(=O)(=O)C

InChI

InChI=1S/C24H26N2O4S/c1-18-8-7-9-19(2)23(18)25-24(27)26(16-20-10-5-4-6-11-20)17-21-12-14-22(15-13-21)30-31(3,28)29/h4-15H,16-17H2,1-3H3,(H,25,27)