4-[4-(5-methanoylthiophen-2-yl)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid

Systemtic Name: 4-[4-(5-methanoylthiophen-2-yl)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Openeye Name: 4-[4-(5-formyl-2-thienyl)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: 4-[4-(5-formyl-2-thiophenyl)phenyl]sulfonyl-2,2-dimethyl-3-thiomorpholinecarboxylic acid IUPAC Name: 4-[4-(5-formylthiophen-2-yl)phenyl]sulfonyl-2,2-dimethylthiomorpholine-3-carboxylic acid Traditional Name: 4-[4-(5-formyl-2-thienyl)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Formula: C18H19NO5S3 MolecularWeight: 425.54216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(S3)C=O)C(=O)O)C

Isomeric SMILES

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(S3)C=O)C(=O)O)C

InChI

InChI=1S/C18H19NO5S3/c1-18(2)16(17(21)22)19(9-10-25-18)27(23,24)14-6-3-12(4-7-14)15-8-5-13(11-20)26-15/h3-8,11,16H,9-10H2,1-2H3,(H,21,22)