[5-[[ethylcarbamoyl(propan-2-yl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate

Systemtic Name: [5-[[ethylcarbamoyl(propan-2-yl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[ethylcarbamoyl(isopropyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[ethylcarbamoyl(propan-2-yl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[ethylcarbamoyl(propan-2-yl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[ethylcarbamoyl(isopropyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C16H26N2O5S MolecularWeight: 358.45304

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)CC)C(C)C

Isomeric SMILES

CCNC(=O)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)CC)C(C)C

InChI

InChI=1S/C16H26N2O5S/c1-6-17-16(19)18(12(3)4)11-13-8-9-14(22-5)15(10-13)23-24(20,21)7-2/h8-10,12H,6-7,11H2,1-5H3,(H,17,19)