5-(aziridin-1-ylsulfonyl)-2-[(2-methylphenyl)methylsulfinyl]benzoic acid

Systemtic Name: 5-(aziridin-1-ylsulfonyl)-2-[(2-methylphenyl)methylsulfinyl]benzoic acid Openeye Name: 5-(aziridin-1-ylsulfonyl)-2-(o-tolylmethylsulfinyl)benzoic acid CAS Name: 5-(1-aziridinylsulfonyl)-2-[(2-methylphenyl)methylsulfinyl]benzoic acid IUPAC Name: 5-(aziridin-1-ylsulfonyl)-2-[(2-methylphenyl)methylsulfinyl]benzoic acid Traditional Name: 5-ethyleniminosulfonyl-2-(2-methylbenzyl)sulfinyl-benzoic acid Formula: C17H17NO5S2 MolecularWeight: 379.45058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CS(=O)C2=C(C=C(C=C2)S(=O)(=O)N3CC3)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1CS(=O)C2=C(C=C(C=C2)S(=O)(=O)N3CC3)C(=O)O

InChI

InChI=1S/C17H17NO5S2/c1-12-4-2-3-5-13(12)11-24(21)16-7-6-14(10-15(16)17(19)20)25(22,23)18-8-9-18/h2-7,10H,8-9,11H2,1H3,(H,19,20)