4-(5-chloranylthiophen-2-yl)-2,2-dimethyl-3-(phenylsulfonyl)thiomorpholine-3-carboxylic acid

Systemtic Name: 4-(5-chloranylthiophen-2-yl)-2,2-dimethyl-3-(phenylsulfonyl)thiomorpholine-3-carboxylic acid Openeye Name: 3-(benzenesulfonyl)-4-(5-chloro-2-thienyl)-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: 3-(benzenesulfonyl)-4-(5-chloro-2-thiophenyl)-2,2-dimethyl-3-thiomorpholinecarboxylic acid IUPAC Name: 3-(benzenesulfonyl)-4-(5-chlorothiophen-2-yl)-2,2-dimethylthiomorpholine-3-carboxylic acid Traditional Name: 3-besyl-4-(5-chloro-2-thienyl)-2,2-dimethyl-thiomorpholine-3-carboxylic acid Formula: C17H18ClNO4S3 MolecularWeight: 431.97712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCS1)C2=CC=C(S2)Cl)(C(=O)O)S(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1(C(N(CCS1)C2=CC=C(S2)Cl)(C(=O)O)S(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C17H18ClNO4S3/c1-16(2)17(15(20)21,26(22,23)12-6-4-3-5-7-12)19(10-11-24-16)14-9-8-13(18)25-14/h3-9H,10-11H2,1-2H3,(H,20,21)