(3S)-4-(4-methoxyphenyl)sulfonyl-N,2,2-trimethyl-N-oxidanyl-1,4-thiazepane-3-carboxamide

Systemtic Name: (3S)-4-(4-methoxyphenyl)sulfonyl-N,2,2-trimethyl-N-oxidanyl-1,4-thiazepane-3-carboxamide Openeye Name: (3S)-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-N,2,2-trimethyl-1,4-thiazepane-3-carboxamide CAS Name: (3S)-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-N,2,2-trimethyl-1,4-thiazepane-3-carboxamide IUPAC Name: (3S)-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-N,2,2-trimethyl-1,4-thiazepane-3-carboxamide Traditional Name: (3S)-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-N,2,2-trimethyl-1,4-thiazepane-3-carboxamide Formula: C16H24N2O5S2 MolecularWeight: 388.50216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O5S2/c1-16(2)14(15(19)17(3)20)18(10-5-11-24-16)25(21,22)13-8-6-12(23-4)7-9-13/h6-9,14,20H,5,10-11H2,1-4H3/t14-/m0/s1