[3-[[2-methoxyethyl(naphthalen-2-ylsulfonyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[2-methoxyethyl(naphthalen-2-ylsulfonyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[2-methoxyethyl(2-naphthylsulfonyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-methoxyethyl(2-naphthalenylsulfonyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methoxyethyl(naphthalen-2-ylsulfonyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[2-methoxyethyl(2-naphthylsulfonyl)amino]methyl]phenyl] ester Formula: C22H25NO6S2 MolecularWeight: 463.567

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CCOC)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CCOC)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H25NO6S2/c1-3-30(24,25)29-21-10-6-7-18(15-21)17-23(13-14-28-2)31(26,27)22-12-11-19-8-4-5-9-20(19)16-22/h4-12,15-16H,3,13-14,17H2,1-2H3