[3-[[butan-2-yl(quinolin-8-ylsulfonyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[butan-2-yl(quinolin-8-ylsulfonyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[8-quinolylsulfonyl(sec-butyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[butan-2-yl(8-quinolinylsulfonyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl(quinolin-8-ylsulfonyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[8-quinolylsulfonyl(sec-butyl)amino]methyl]phenyl] ester Formula: C22H26N2O5S2 MolecularWeight: 462.58224

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)CC)S(=O)(=O)C2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)CC)S(=O)(=O)C2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C22H26N2O5S2/c1-4-17(3)24(16-18-9-6-12-20(15-18)29-30(25,26)5-2)31(27,28)21-13-7-10-19-11-8-14-23-22(19)21/h6-15,17H,4-5,16H2,1-3H3