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

Systemtic Name: [5-[[butan-2-yl(quinolin-8-ylsulfonyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [2-methoxy-5-[[8-quinolylsulfonyl(sec-butyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[butan-2-yl(8-quinolinylsulfonyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl(quinolin-8-ylsulfonyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [2-methoxy-5-[[8-quinolylsulfonyl(sec-butyl)amino]methyl]phenyl] ester Formula: C23H28N2O6S2 MolecularWeight: 492.60822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O6S2/c1-5-17(3)25(33(28,29)22-11-7-9-19-10-8-14-24-23(19)22)16-18-12-13-20(30-4)21(15-18)31-32(26,27)6-2/h7-15,17H,5-6,16H2,1-4H3