2,2-dimethyl-4-(4-naphthalen-1-ylphenyl)sulfonyl-thiomorpholine-3-carboxylic acid

Systemtic Name: 2,2-dimethyl-4-(4-naphthalen-1-ylphenyl)sulfonyl-thiomorpholine-3-carboxylic acid Openeye Name: 2,2-dimethyl-4-[4-(1-naphthyl)phenyl]sulfonyl-thiomorpholine-3-carboxylic acid CAS Name: 2,2-dimethyl-4-[4-(1-naphthalenyl)phenyl]sulfonyl-3-thiomorpholinecarboxylic acid IUPAC Name: 2,2-dimethyl-4-(4-naphthalen-1-ylphenyl)sulfonylthiomorpholine-3-carboxylic acid Traditional Name: 2,2-dimethyl-4-[4-(1-naphthyl)phenyl]sulfonyl-thiomorpholine-3-carboxylic acid Formula: C23H23NO4S2 MolecularWeight: 441.56302

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)C3=CC=CC4=CC=CC=C43)C(=O)O)C

Isomeric SMILES

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)C3=CC=CC4=CC=CC=C43)C(=O)O)C

InChI

InChI=1S/C23H23NO4S2/c1-23(2)21(22(25)26)24(14-15-29-23)30(27,28)18-12-10-17(11-13-18)20-9-5-7-16-6-3-4-8-19(16)20/h3-13,21H,14-15H2,1-2H3,(H,25,26)