[2-methoxy-5-[[2-methylpropyl(naphthalen-2-ylsulfonyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [2-methoxy-5-[[2-methylpropyl(naphthalen-2-ylsulfonyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [5-[[isobutyl(2-naphthylsulfonyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-methoxy-5-[[2-methylpropyl(2-naphthalenylsulfonyl)amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[2-methylpropyl(naphthalen-2-ylsulfonyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[isobutyl(2-naphthylsulfonyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C24H29NO6S2 MolecularWeight: 491.62016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29NO6S2/c1-5-32(26,27)31-24-14-19(10-13-23(24)30-4)17-25(16-18(2)3)33(28,29)22-12-11-20-8-6-7-9-21(20)15-22/h6-15,18H,5,16-17H2,1-4H3