(3S)-3-methyl-N-oxidanyl-1-(4-pyridin-4-yloxyphenyl)sulfonyl-azepane-2-carboxamide

Systemtic Name: (3S)-3-methyl-N-oxidanyl-1-(4-pyridin-4-yloxyphenyl)sulfonyl-azepane-2-carboxamide Openeye Name: (3S)-3-methyl-1-[4-(4-pyridyloxy)phenyl]sulfonyl-azepane-2-carbohydroxamic acid CAS Name: (3S)-N-hydroxy-3-methyl-1-(4-pyridin-4-yloxyphenyl)sulfonyl-2-azepanecarboxamide IUPAC Name: (3S)-N-hydroxy-3-methyl-1-(4-pyridin-4-yloxyphenyl)sulfonylazepane-2-carboxamide Traditional Name: (3S)-3-methyl-1-[4-(4-pyridyloxy)phenyl]sulfonyl-azepane-2-carbohydroxamic acid Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN(C1C(=O)NO)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=NC=C3

Isomeric SMILES

C[C@H]1CCCCN(C1C(=O)NO)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=NC=C3

InChI

InChI=1S/C19H23N3O5S/c1-14-4-2-3-13-22(18(14)19(23)21-24)28(25,26)17-7-5-15(6-8-17)27-16-9-11-20-12-10-16/h5-12,14,18,24H,2-4,13H2,1H3,(H,21,23)/t14-,18?/m0/s1