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

Systemtic Name: methyl (3S)-4-(4-bromophenyl)sulfonyl-2,2-dimethyl-1,4-thiazepane-3-carboxylate Openeye Name: methyl (3S)-4-(4-bromophenyl)sulfonyl-2,2-dimethyl-1,4-thiazepane-3-carboxylate CAS Name: (3S)-4-(4-bromophenyl)sulfonyl-2,2-dimethyl-1,4-thiazepane-3-carboxylic acid methyl ester IUPAC Name: methyl (3S)-4-(4-bromophenyl)sulfonyl-2,2-dimethyl-1,4-thiazepane-3-carboxylate Traditional Name: (3S)-4-brosyl-2,2-dimethyl-1,4-thiazepane-3-carboxylic acid methyl ester Formula: C15H20BrNO4S2 MolecularWeight: 422.3576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20BrNO4S2/c1-15(2)13(14(18)21-3)17(9-4-10-22-15)23(19,20)12-7-5-11(16)6-8-12/h5-8,13H,4,9-10H2,1-3H3/t13-/m0/s1