2-[2-(phenylsulfonylamino)cyclohexyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-(phenylsulfonylamino)cyclohexyl]sulfanylbenzoic acid Openeye Name: 2-[2-(benzenesulfonamido)cyclohexyl]sulfanylbenzoic acid CAS Name: 2-[[2-(benzenesulfonamido)cyclohexyl]thio]benzoic acid IUPAC Name: 2-[2-(benzenesulfonamido)cyclohexyl]sulfanylbenzoic acid Traditional Name: 2-[[2-(benzenesulfonamido)cyclohexyl]thio]benzoic acid Formula: C19H21NO4S2 MolecularWeight: 391.50434

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)NS(=O)(=O)C2=CC=CC=C2)SC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CCC(C(C1)NS(=O)(=O)C2=CC=CC=C2)SC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C19H21NO4S2/c21-19(22)15-10-4-6-12-17(15)25-18-13-7-5-11-16(18)20-26(23,24)14-8-2-1-3-9-14/h1-4,6,8-10,12,16,18,20H,5,7,11,13H2,(H,21,22)