[5-[[(3-ethylphenyl)carbamoyl-propan-2-yl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate

Systemtic Name: [5-[[(3-ethylphenyl)carbamoyl-propan-2-yl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[(3-ethylphenyl)carbamoyl-isopropyl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[[(3-ethylanilino)-oxomethyl]-propan-2-ylamino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(3-ethylphenyl)carbamoyl-propan-2-ylamino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[(3-ethylphenyl)carbamoyl-isopropyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C22H30N2O5S MolecularWeight: 434.549

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)N(CC2=CC(=C(C=C2)OC)OS(=O)(=O)CC)C(C)C

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)N(CC2=CC(=C(C=C2)OC)OS(=O)(=O)CC)C(C)C

InChI

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