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

Systemtic Name: [3-[[(2,3-dimethylphenyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[(2,3-dimethylphenyl)carbamoyl-isopropyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(2,3-dimethylanilino)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(2,3-dimethylphenyl)carbamoyl-propan-2-ylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[(2,3-dimethylphenyl)carbamoyl-isopropyl-amino]methyl]phenyl] ester Formula: C21H28N2O4S MolecularWeight: 404.52302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(C(C)C)C(=O)NC2=CC=CC(=C2C)C

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(C(C)C)C(=O)NC2=CC=CC(=C2C)C

InChI

InChI=1S/C21H28N2O4S/c1-6-28(25,26)27-19-11-8-10-18(13-19)14-23(15(2)3)21(24)22-20-12-7-9-16(4)17(20)5/h7-13,15H,6,14H2,1-5H3,(H,22,24)