[2-methoxy-5-[[2-methoxyethyl(naphthalen-1-ylsulfonyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [2-methoxy-5-[[2-methoxyethyl(naphthalen-1-ylsulfonyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [2-methoxy-5-[[2-methoxyethyl(1-naphthylsulfonyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-methoxy-5-[[2-methoxyethyl(1-naphthalenylsulfonyl)amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[2-methoxyethyl(naphthalen-1-ylsulfonyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [2-methoxy-5-[[2-methoxyethyl(1-naphthylsulfonyl)amino]methyl]phenyl] ester Formula: C22H25NO7S2 MolecularWeight: 479.5664

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)S(=O)(=O)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

COCCN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)S(=O)(=O)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C22H25NO7S2/c1-28-14-13-23(16-17-11-12-20(29-2)21(15-17)30-31(3,24)25)32(26,27)22-10-6-8-18-7-4-5-9-19(18)22/h4-12,15H,13-14,16H2,1-3H3