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

Systemtic Name: [3-[[propan-2-yl(quinolin-8-ylsulfonyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[isopropyl(8-quinolylsulfonyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[propan-2-yl(8-quinolinylsulfonyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[propan-2-yl(quinolin-8-ylsulfonyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[isopropyl(8-quinolylsulfonyl)amino]methyl]phenyl] ester Formula: C21H24N2O5S2 MolecularWeight: 448.55566

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(C(C)C)S(=O)(=O)C2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(C(C)C)S(=O)(=O)C2=CC=CC3=C2N=CC=C3

InChI

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