[3-[[2-methoxyethyl(naphthalen-1-ylsulfonyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[2-methoxyethyl(naphthalen-1-ylsulfonyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[2-methoxyethyl(1-naphthylsulfonyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-methoxyethyl(1-naphthalenylsulfonyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methoxyethyl(naphthalen-1-ylsulfonyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[2-methoxyethyl(1-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=CC=CC3=CC=CC=C32

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CCOC)S(=O)(=O)C2=CC=CC3=CC=CC=C32

InChI

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