[5-[[cyclopropyl(thiophen-2-ylcarbonyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate

Systemtic Name: [5-[[cyclopropyl(thiophen-2-ylcarbonyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[cyclopropyl(thiophene-2-carbonyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[cyclopropyl-[oxo(thiophen-2-yl)methyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[cyclopropyl(thiophene-2-carbonyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[cyclopropyl(2-thenoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C18H21NO5S2 MolecularWeight: 395.49304

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(C2CC2)C(=O)C3=CC=CS3)OC

Isomeric SMILES

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(C2CC2)C(=O)C3=CC=CS3)OC

InChI

InChI=1S/C18H21NO5S2/c1-3-26(21,22)24-16-11-13(6-9-15(16)23-2)12-19(14-7-8-14)18(20)17-5-4-10-25-17/h4-6,9-11,14H,3,7-8,12H2,1-2H3