5-(3-methylbutyl)-2-(phenylsulfonylamino)benzoic acid

Systemtic Name: 5-(3-methylbutyl)-2-(phenylsulfonylamino)benzoic acid Openeye Name: 2-(benzenesulfonamido)-5-isopentyl-benzoic acid CAS Name: 2-(benzenesulfonamido)-5-(3-methylbutyl)benzoic acid IUPAC Name: 2-(benzenesulfonamido)-5-(3-methylbutyl)benzoic acid Traditional Name: 2-(benzenesulfonamido)-5-isoamyl-benzoic acid Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)CCC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H21NO4S/c1-13(2)8-9-14-10-11-17(16(12-14)18(20)21)19-24(22,23)15-6-4-3-5-7-15/h3-7,10-13,19H,8-9H2,1-2H3,(H,20,21)