(3S)-4-(4-bromophenyl)sulfonyl-2,2-dimethyl-1,4-thiazepane-3-carboxylic acid

Systemtic Name: (3S)-4-(4-bromophenyl)sulfonyl-2,2-dimethyl-1,4-thiazepane-3-carboxylic acid Openeye Name: (3S)-4-(4-bromophenyl)sulfonyl-2,2-dimethyl-1,4-thiazepane-3-carboxylic acid CAS Name: (3S)-4-(4-bromophenyl)sulfonyl-2,2-dimethyl-1,4-thiazepane-3-carboxylic acid IUPAC Name: (3S)-4-(4-bromophenyl)sulfonyl-2,2-dimethyl-1,4-thiazepane-3-carboxylic acid Traditional Name: (3S)-4-brosyl-2,2-dimethyl-1,4-thiazepane-3-carboxylic acid Formula: C14H18BrNO4S2 MolecularWeight: 408.33102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrNO4S2/c1-14(2)12(13(17)18)16(8-3-9-21-14)22(19,20)11-6-4-10(15)5-7-11/h4-7,12H,3,8-9H2,1-2H3,(H,17,18)/t12-/m0/s1