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

Systemtic Name: [4-[[butan-2-yl(naphthalen-2-ylsulfonyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[2-naphthylsulfonyl(sec-butyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[butan-2-yl(2-naphthalenylsulfonyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[butan-2-yl(naphthalen-2-ylsulfonyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[2-naphthylsulfonyl(sec-butyl)amino]methyl]phenyl] ester Formula: C23H27NO5S2 MolecularWeight: 461.59418

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)CC)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)CC)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C23H27NO5S2/c1-4-18(3)24(17-19-10-13-22(14-11-19)29-30(25,26)5-2)31(27,28)23-15-12-20-8-6-7-9-21(20)16-23/h6-16,18H,4-5,17H2,1-3H3