(3S)-1-[4-(4-chloranylphenoxy)phenyl]sulfonyl-3-methyl-N-oxidanyl-azepane-2-carboxamide

Systemtic Name: (3S)-1-[4-(4-chloranylphenoxy)phenyl]sulfonyl-3-methyl-N-oxidanyl-azepane-2-carboxamide Openeye Name: (3S)-1-[4-(4-chlorophenoxy)phenyl]sulfonyl-3-methyl-azepane-2-carbohydroxamic acid CAS Name: (3S)-1-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxy-3-methyl-2-azepanecarboxamide IUPAC Name: (3S)-1-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxy-3-methylazepane-2-carboxamide Traditional Name: (3S)-1-[4-(4-chlorophenoxy)phenyl]sulfonyl-3-methyl-azepane-2-carbohydroxamic acid Formula: C20H23ClN2O5S MolecularWeight: 438.92502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O5S/c1-14-4-2-3-13-23(19(14)20(24)22-25)29(26,27)18-11-9-17(10-12-18)28-16-7-5-15(21)6-8-16/h5-12,14,19,25H,2-4,13H2,1H3,(H,22,24)/t14-,19?/m0/s1