[3-[[propan-2-yl(thiophen-2-ylcarbonyl)amino]methyl]phenyl] propane-2-sulfonate

Systemtic Name: [3-[[propan-2-yl(thiophen-2-ylcarbonyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [3-[[isopropyl(thiophene-2-carbonyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [3-[[propan-2-yl(thiophene-2-carbonyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [3-[[isopropyl(2-thenoyl)amino]methyl]phenyl] ester Formula: C18H23NO4S2 MolecularWeight: 381.50952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO4S2/c1-13(2)19(18(20)17-9-6-10-24-17)12-15-7-5-8-16(11-15)23-25(21,22)14(3)4/h5-11,13-14H,12H2,1-4H3