[3-[[(4-methoxyphenyl)sulfonyl-propan-2-yl-amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[(4-methoxyphenyl)sulfonyl-propan-2-yl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[isopropyl-(4-methoxyphenyl)sulfonyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[(4-methoxyphenyl)sulfonyl-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(4-methoxyphenyl)sulfonyl-propan-2-ylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[isopropyl-(4-methoxyphenyl)sulfonyl-amino]methyl]phenyl] ester Formula: C19H25NO6S2 MolecularWeight: 427.5349

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(C(C)C)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(C(C)C)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C19H25NO6S2/c1-5-27(21,22)26-18-8-6-7-16(13-18)14-20(15(2)3)28(23,24)19-11-9-17(25-4)10-12-19/h6-13,15H,5,14H2,1-4H3