[3-[[(3,4-dimethylphenyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[(3,4-dimethylphenyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[(3,4-dimethylphenyl)carbamoyl-isopropyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[[(3,4-dimethylanilino)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(3,4-dimethylphenyl)carbamoyl-propan-2-ylamino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[(3,4-dimethylphenyl)carbamoyl-isopropyl-amino]methyl]phenyl] ester Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O4S/c1-14(2)22(20(23)21-18-10-9-15(3)16(4)11-18)13-17-7-6-8-19(12-17)26-27(5,24)25/h6-12,14H,13H2,1-5H3,(H,21,23)