[4-[[2-methoxyethyl(naphthalen-2-ylsulfonyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[2-methoxyethyl(naphthalen-2-ylsulfonyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[2-methoxyethyl(2-naphthylsulfonyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[2-methoxyethyl(2-naphthalenylsulfonyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[2-methoxyethyl(naphthalen-2-ylsulfonyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[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=C(C=C1)CN(CCOC)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

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

InChI

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