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

Systemtic Name: (3S)-1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-3-methyl-N-oxidanyl-azepane-2-carboxamide Openeye Name: (3S)-1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-3-methyl-azepane-2-carbohydroxamic acid CAS Name: (3S)-N-hydroxy-1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-3-methyl-2-azepanecarboxamide IUPAC Name: (3S)-N-hydroxy-1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-3-methylazepane-2-carboxamide Traditional Name: (3S)-1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-3-methyl-azepane-2-carbohydroxamic acid Formula: C21H26N2O6S MolecularWeight: 434.50594

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O6S/c1-15-5-3-4-14-23(20(15)21(24)22-25)30(26,27)19-12-10-18(11-13-19)29-17-8-6-16(28-2)7-9-17/h6-13,15,20,25H,3-5,14H2,1-2H3,(H,22,24)/t15-,20?/m0/s1