2,2-dimethyl-4-(1-methylsulfanyl-4-phenyl-cyclohexa-2,5-dien-1-yl)sulfonyl-thiomorpholine-3-carboxylic acid

Systemtic Name: 2,2-dimethyl-4-(1-methylsulfanyl-4-phenyl-cyclohexa-2,5-dien-1-yl)sulfonyl-thiomorpholine-3-carboxylic acid Openeye Name: 2,2-dimethyl-4-(1-methylsulfanyl-4-phenyl-cyclohexa-2,5-dien-1-yl)sulfonyl-thiomorpholine-3-carboxylic acid CAS Name: 2,2-dimethyl-4-[[1-(methylthio)-4-phenyl-1-cyclohexa-2,5-dienyl]sulfonyl]-3-thiomorpholinecarboxylic acid IUPAC Name: 2,2-dimethyl-4-(1-methylsulfanyl-4-phenylcyclohexa-2,5-dien-1-yl)sulfonylthiomorpholine-3-carboxylic acid Traditional Name: 2,2-dimethyl-4-[1-(methylthio)-4-phenyl-cyclohexa-2,5-dien-1-yl]sulfonyl-thiomorpholine-3-carboxylic acid Formula: C20H25NO4S3 MolecularWeight: 439.6118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO4S3/c1-19(2)17(18(22)23)21(13-14-27-19)28(24,25)20(26-3)11-9-16(10-12-20)15-7-5-4-6-8-15/h4-12,16-17H,13-14H2,1-3H3,(H,22,23)