methyl (3S,6R)-6-(methoxymethoxy)-4-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-1,4-thiazepane-3-carboxylate

Systemtic Name: methyl (3S,6R)-6-(methoxymethoxy)-4-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-1,4-thiazepane-3-carboxylate Openeye Name: methyl (3S,6R)-6-(methoxymethoxy)-4-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-1,4-thiazepane-3-carboxylate CAS Name: (3S,6R)-6-(methoxymethoxy)-4-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-1,4-thiazepane-3-carboxylic acid methyl ester IUPAC Name: methyl (3S,6R)-6-(methoxymethoxy)-4-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-1,4-thiazepane-3-carboxylate Traditional Name: (3S,6R)-6-(methoxymethoxy)-4-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-1,4-thiazepane-3-carboxylic acid methyl ester Formula: C18H27NO7S2 MolecularWeight: 433.53948

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CC(CS1)OCOC)S(=O)(=O)C2=CC=C(C=C2)OC)C(=O)OC)C

Isomeric SMILES

CC1([C@@H](N(C[C@H](CS1)OCOC)S(=O)(=O)C2=CC=C(C=C2)OC)C(=O)OC)C

InChI

InChI=1S/C18H27NO7S2/c1-18(2)16(17(20)25-5)19(10-14(11-27-18)26-12-23-3)28(21,22)15-8-6-13(24-4)7-9-15/h6-9,14,16H,10-12H2,1-5H3/t14-,16+/m1/s1