[4-[[2-methoxyethyl(naphthalen-1-ylsulfonyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[2-methoxyethyl(naphthalen-1-ylsulfonyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[2-methoxyethyl(1-naphthylsulfonyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[2-methoxyethyl(1-naphthalenylsulfonyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[2-methoxyethyl(naphthalen-1-ylsulfonyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[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=C(C=C1)CN(CCOC)S(=O)(=O)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

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

InChI

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