[4-[[3-methylbutyl(quinolin-8-ylsulfonyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[3-methylbutyl(quinolin-8-ylsulfonyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[isopentyl(8-quinolylsulfonyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[3-methylbutyl(8-quinolinylsulfonyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[3-methylbutyl(quinolin-8-ylsulfonyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[isoamyl(8-quinolylsulfonyl)amino]methyl]phenyl] ester Formula: C22H26N2O5S2 MolecularWeight: 462.58224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S2/c1-17(2)13-15-24(16-18-9-11-20(12-10-18)29-30(3,25)26)31(27,28)21-8-4-6-19-7-5-14-23-22(19)21/h4-12,14,17H,13,15-16H2,1-3H3