(3S)-2,2-dimethyl-N-oxidanyl-4-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-1,4-thiazepane-3-carboxamide

Systemtic Name: (3S)-2,2-dimethyl-N-oxidanyl-4-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-1,4-thiazepane-3-carboxamide Openeye Name: (3S)-2,2-dimethyl-4-[[5-(2-pyridyl)-2-thienyl]sulfonyl]-1,4-thiazepane-3-carbohydroxamic acid CAS Name: (3S)-N-hydroxy-2,2-dimethyl-4-[[5-(2-pyridinyl)-2-thiophenyl]sulfonyl]-1,4-thiazepane-3-carboxamide IUPAC Name: (3S)-N-hydroxy-2,2-dimethyl-4-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-1,4-thiazepane-3-carboxamide Traditional Name: (3S)-2,2-dimethyl-4-[[5-(2-pyridyl)-2-thienyl]sulfonyl]-1,4-thiazepane-3-carbohydroxamic acid Formula: C17H21N3O4S3 MolecularWeight: 427.56134

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCCS1)S(=O)(=O)C2=CC=C(S2)C3=CC=CC=N3)C(=O)NO)C

Isomeric SMILES

CC1([C@@H](N(CCCS1)S(=O)(=O)C2=CC=C(S2)C3=CC=CC=N3)C(=O)NO)C

InChI

InChI=1S/C17H21N3O4S3/c1-17(2)15(16(21)19-22)20(10-5-11-25-17)27(23,24)14-8-7-13(26-14)12-6-3-4-9-18-12/h3-4,6-9,15,22H,5,10-11H2,1-2H3,(H,19,21)/t15-/m0/s1