methyl (3S)-4-[4-(2-methoxyethoxy)phenyl]sulfonyl-2,2-dimethyl-1,4-thiazepane-3-carboxylate

Systemtic Name: methyl (3S)-4-[4-(2-methoxyethoxy)phenyl]sulfonyl-2,2-dimethyl-1,4-thiazepane-3-carboxylate Openeye Name: methyl (3S)-4-[4-(2-methoxyethoxy)phenyl]sulfonyl-2,2-dimethyl-1,4-thiazepane-3-carboxylate CAS Name: (3S)-4-[4-(2-methoxyethoxy)phenyl]sulfonyl-2,2-dimethyl-1,4-thiazepane-3-carboxylic acid methyl ester IUPAC Name: methyl (3S)-4-[4-(2-methoxyethoxy)phenyl]sulfonyl-2,2-dimethyl-1,4-thiazepane-3-carboxylate Traditional Name: (3S)-4-[4-(2-methoxyethoxy)phenyl]sulfonyl-2,2-dimethyl-1,4-thiazepane-3-carboxylic acid methyl ester Formula: C18H27NO6S2 MolecularWeight: 417.54008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO6S2/c1-18(2)16(17(20)24-4)19(10-5-13-26-18)27(21,22)15-8-6-14(7-9-15)25-12-11-23-3/h6-9,16H,5,10-13H2,1-4H3/t16-/m0/s1