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

Systemtic Name: [5-[[butan-2-yl(quinolin-8-ylsulfonyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [2-methoxy-5-[[8-quinolylsulfonyl(sec-butyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic 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] methanesulfonate Traditional Name: methanesulfonic acid [2-methoxy-5-[[8-quinolylsulfonyl(sec-butyl)amino]methyl]phenyl] ester Formula: C22H26N2O6S2 MolecularWeight: 478.58164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O6S2/c1-5-16(2)24(15-17-11-12-19(29-3)20(14-17)30-31(4,25)26)32(27,28)21-10-6-8-18-9-7-13-23-22(18)21/h6-14,16H,5,15H2,1-4H3