[4-[[butan-2-yl(thiophen-2-ylcarbonyl)amino]methyl]phenyl] propane-2-sulfonate

Systemtic Name: [4-[[butan-2-yl(thiophen-2-ylcarbonyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [4-[[sec-butyl(thiophene-2-carbonyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [4-[[butan-2-yl(thiophene-2-carbonyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [4-[[sec-butyl(2-thenoyl)amino]methyl]phenyl] ester Formula: C19H25NO4S2 MolecularWeight: 395.5361

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C(C)C)C(=O)C2=CC=CS2

Isomeric SMILES

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C(C)C)C(=O)C2=CC=CS2

InChI

InChI=1S/C19H25NO4S2/c1-5-15(4)20(19(21)18-7-6-12-25-18)13-16-8-10-17(11-9-16)24-26(22,23)14(2)3/h6-12,14-15H,5,13H2,1-4H3