2-bromanyl-N,N-dimethyl-5-[[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]carbonyl]benzenesulfonamide

Systemtic Name: 2-bromanyl-N,N-dimethyl-5-[[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]carbonyl]benzenesulfonamide Openeye Name: 2-bromo-N,N-dimethyl-5-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl]benzenesulfonamide CAS Name: 2-bromo-N,N-dimethyl-5-[[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-oxomethyl]benzenesulfonamide IUPAC Name: 2-bromo-N,N-dimethyl-5-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl]benzenesulfonamide Traditional Name: 2-bromo-N,N-dimethyl-5-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl]benzenesulfonamide Formula: C19H21BrN2O3S2 MolecularWeight: 469.41564

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=CC(=C(C=C3)Br)S(=O)(=O)N(C)C

Isomeric SMILES

C[C@H]1CCN(C2=CC=CC=C2S1)C(=O)C3=CC(=C(C=C3)Br)S(=O)(=O)N(C)C

InChI

InChI=1S/C19H21BrN2O3S2/c1-13-10-11-22(16-6-4-5-7-17(16)26-13)19(23)14-8-9-15(20)18(12-14)27(24,25)21(2)3/h4-9,12-13H,10-11H2,1-3H3/t13-/m0/s1