(2S,3R)-1-(4-methoxyphenyl)sulfonyl-N-oxidanyl-3-(phenylmethyl)azepane-2-carboxamide

Systemtic Name: (2S,3R)-1-(4-methoxyphenyl)sulfonyl-N-oxidanyl-3-(phenylmethyl)azepane-2-carboxamide Openeye Name: (2S,3R)-3-benzyl-1-(4-methoxyphenyl)sulfonyl-azepane-2-carbohydroxamic acid CAS Name: (2S,3R)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-3-(phenylmethyl)-2-azepanecarboxamide IUPAC Name: (2S,3R)-3-benzyl-N-hydroxy-1-(4-methoxyphenyl)sulfonylazepane-2-carboxamide Traditional Name: (2S,3R)-3-benzyl-1-(4-methoxyphenyl)sulfonyl-azepane-2-carbohydroxamic acid Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCCC(C2C(=O)NO)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC[C@@H]([C@H]2C(=O)NO)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O5S/c1-28-18-10-12-19(13-11-18)29(26,27)23-14-6-5-9-17(20(23)21(24)22-25)15-16-7-3-2-4-8-16/h2-4,7-8,10-13,17,20,25H,5-6,9,14-15H2,1H3,(H,22,24)/t17-,20+/m1/s1