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

Systemtic Name: [4-[[butan-2-yl(quinolin-8-ylsulfonyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[8-quinolylsulfonyl(sec-butyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[butan-2-yl(8-quinolinylsulfonyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[butan-2-yl(quinolin-8-ylsulfonyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[8-quinolylsulfonyl(sec-butyl)amino]methyl]phenyl] ester Formula: C21H24N2O5S2 MolecularWeight: 448.55566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5S2/c1-4-16(2)23(15-17-10-12-19(13-11-17)28-29(3,24)25)30(26,27)20-9-5-7-18-8-6-14-22-21(18)20/h5-14,16H,4,15H2,1-3H3