[5-[[(2,6-dimethylphenyl)carbamoyl-propan-2-yl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate

Systemtic Name: [5-[[(2,6-dimethylphenyl)carbamoyl-propan-2-yl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[(2,6-dimethylphenyl)carbamoyl-isopropyl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[[(2,6-dimethylanilino)-oxomethyl]-propan-2-ylamino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(2,6-dimethylphenyl)carbamoyl-propan-2-ylamino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[(2,6-dimethylphenyl)carbamoyl-isopropyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C22H30N2O5S MolecularWeight: 434.549

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O5S/c1-7-30(26,27)29-20-13-18(11-12-19(20)28-6)14-24(15(2)3)22(25)23-21-16(4)9-8-10-17(21)5/h8-13,15H,7,14H2,1-6H3,(H,23,25)