3-butoxy-2-[(4-methylphenyl)sulfonylamino]-3-oxidanylidene-propane-1-sulfonic acid

Systemtic Name: 3-butoxy-2-[(4-methylphenyl)sulfonylamino]-3-oxidanylidene-propane-1-sulfonic acid Openeye Name: 3-butoxy-3-oxo-2-(p-tolylsulfonylamino)propane-1-sulfonic acid CAS Name: 3-butoxy-2-[(4-methylphenyl)sulfonylamino]-3-oxo-1-propanesulfonic acid IUPAC Name: 3-butoxy-2-[(4-methylphenyl)sulfonylamino]-3-oxopropane-1-sulfonic acid Traditional Name: 3-butoxy-3-keto-2-(tosylamino)propane-1-sulfonic acid Formula: C14H21NO7S2 MolecularWeight: 379.44904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(CS(=O)(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCOC(=O)C(CS(=O)(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C14H21NO7S2/c1-3-4-9-22-14(16)13(10-23(17,18)19)15-24(20,21)12-7-5-11(2)6-8-12/h5-8,13,15H,3-4,9-10H2,1-2H3,(H,17,18,19)