2-[1,3-benzothiazol-2-ylsulfonyl(cyclohexyl)amino]sulfanylbenzoic acid

Systemtic Name: 2-[1,3-benzothiazol-2-ylsulfonyl(cyclohexyl)amino]sulfanylbenzoic acid Openeye Name: 2-[1,3-benzothiazol-2-ylsulfonyl(cyclohexyl)amino]sulfanylbenzoic acid CAS Name: 2-[[1,3-benzothiazol-2-ylsulfonyl(cyclohexyl)amino]thio]benzoic acid IUPAC Name: 2-[1,3-benzothiazol-2-ylsulfonyl(cyclohexyl)amino]sulfanylbenzoic acid Traditional Name: 2-[[1,3-benzothiazol-2-ylsulfonyl(cyclohexyl)amino]thio]benzoic acid Formula: C20H20N2O4S3 MolecularWeight: 448.5788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(SC2=CC=CC=C2C(=O)O)S(=O)(=O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCC(CC1)N(SC2=CC=CC=C2C(=O)O)S(=O)(=O)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H20N2O4S3/c23-19(24)15-10-4-6-12-17(15)28-22(14-8-2-1-3-9-14)29(25,26)20-21-16-11-5-7-13-18(16)27-20/h4-7,10-14H,1-3,8-9H2,(H,23,24)