(3S)-2,2-dimethyl-N-oxidanyl-4-(4-pentylphenyl)sulfonyl-1,4-thiazepane-3-carboxamide

Systemtic Name: (3S)-2,2-dimethyl-N-oxidanyl-4-(4-pentylphenyl)sulfonyl-1,4-thiazepane-3-carboxamide Openeye Name: (3S)-2,2-dimethyl-4-(4-pentylphenyl)sulfonyl-1,4-thiazepane-3-carbohydroxamic acid CAS Name: (3S)-N-hydroxy-2,2-dimethyl-4-(4-pentylphenyl)sulfonyl-1,4-thiazepane-3-carboxamide IUPAC Name: (3S)-N-hydroxy-2,2-dimethyl-4-(4-pentylphenyl)sulfonyl-1,4-thiazepane-3-carboxamide Traditional Name: (3S)-4-(4-amylphenyl)sulfonyl-2,2-dimethyl-1,4-thiazepane-3-carbohydroxamic acid Formula: C19H30N2O4S2 MolecularWeight: 414.5825

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)S(=O)(=O)N2CCCSC(C2C(=O)NO)(C)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)S(=O)(=O)N2CCCSC([C@@H]2C(=O)NO)(C)C

InChI

InChI=1S/C19H30N2O4S2/c1-4-5-6-8-15-9-11-16(12-10-15)27(24,25)21-13-7-14-26-19(2,3)17(21)18(22)20-23/h9-12,17,23H,4-8,13-14H2,1-3H3,(H,20,22)/t17-/m0/s1