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

Systemtic Name: methyl (3S)-4-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-1,4-thiazepane-3-carboxylate Openeye Name: methyl (3S)-4-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-1,4-thiazepane-3-carboxylate CAS Name: (3S)-4-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-1,4-thiazepane-3-carboxylic acid methyl ester IUPAC Name: methyl (3S)-4-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-1,4-thiazepane-3-carboxylate Traditional Name: (3S)-4-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-1,4-thiazepane-3-carboxylic acid methyl ester Formula: C16H23NO5S2 MolecularWeight: 373.48752

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCCS1)S(=O)(=O)C2=CC=C(C=C2)OC)C(=O)OC)C

Isomeric SMILES

CC1([C@@H](N(CCCS1)S(=O)(=O)C2=CC=C(C=C2)OC)C(=O)OC)C

InChI

InChI=1S/C16H23NO5S2/c1-16(2)14(15(18)22-4)17(10-5-11-23-16)24(19,20)13-8-6-12(21-3)7-9-13/h6-9,14H,5,10-11H2,1-4H3/t14-/m0/s1