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

Systemtic Name: [4-[[naphthalen-2-ylsulfonyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[isopropyl(2-naphthylsulfonyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[2-naphthalenylsulfonyl(propan-2-yl)amino]methyl]phenyl] ester IUPAC Name: [4-[[naphthalen-2-ylsulfonyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[isopropyl(2-naphthylsulfonyl)amino]methyl]phenyl] ester Formula: C22H25NO5S2 MolecularWeight: 447.5676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO5S2/c1-4-29(24,25)28-21-12-9-18(10-13-21)16-23(17(2)3)30(26,27)22-14-11-19-7-5-6-8-20(19)15-22/h5-15,17H,4,16H2,1-3H3