methyl (3S)-4-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-1,4-thiazonane-3-carboxylate

Systemtic Name: methyl (3S)-4-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-1,4-thiazonane-3-carboxylate Openeye Name: methyl (3S)-4-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-1,4-thiazonane-3-carboxylate CAS Name: (3S)-4-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-1,4-thiazonane-3-carboxylic acid methyl ester IUPAC Name: methyl (3S)-4-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-1,4-thiazonane-3-carboxylate Traditional Name: (3S)-4-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-1,4-thiazonane-3-carboxylic acid methyl ester Formula: C18H27NO5S2 MolecularWeight: 401.54068

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCCCCS1)S(=O)(=O)C2=CC=C(C=C2)OC)C(=O)OC)C

Isomeric SMILES

CC1([C@@H](N(CCCCCS1)S(=O)(=O)C2=CC=C(C=C2)OC)C(=O)OC)C

InChI

InChI=1S/C18H27NO5S2/c1-18(2)16(17(20)24-4)19(12-6-5-7-13-25-18)26(21,22)15-10-8-14(23-3)9-11-15/h8-11,16H,5-7,12-13H2,1-4H3/t16-/m0/s1