(3S)-4-(4-bromanyl-2-methyl-phenyl)sulfonyl-2,2-dimethyl-N-oxidanyl-1,4-thiazepane-3-carboxamide

Systemtic Name: (3S)-4-(4-bromanyl-2-methyl-phenyl)sulfonyl-2,2-dimethyl-N-oxidanyl-1,4-thiazepane-3-carboxamide Openeye Name: (3S)-4-(4-bromo-2-methyl-phenyl)sulfonyl-2,2-dimethyl-1,4-thiazepane-3-carbohydroxamic acid CAS Name: (3S)-4-(4-bromo-2-methylphenyl)sulfonyl-N-hydroxy-2,2-dimethyl-1,4-thiazepane-3-carboxamide IUPAC Name: (3S)-4-(4-bromo-2-methylphenyl)sulfonyl-N-hydroxy-2,2-dimethyl-1,4-thiazepane-3-carboxamide Traditional Name: (3S)-4-(4-bromo-2-methyl-phenyl)sulfonyl-2,2-dimethyl-1,4-thiazepane-3-carbohydroxamic acid Formula: C15H21BrN2O4S2 MolecularWeight: 437.37224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCCSC(C2C(=O)NO)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCCSC([C@@H]2C(=O)NO)(C)C

InChI

InChI=1S/C15H21BrN2O4S2/c1-10-9-11(16)5-6-12(10)24(21,22)18-7-4-8-23-15(2,3)13(18)14(19)17-20/h5-6,9,13,20H,4,7-8H2,1-3H3,(H,17,19)/t13-/m0/s1