1-(4-but-2-ynoxyphenyl)sulfonyl-N-oxidanyl-4-(phenylsulfonyl)-1,4-diazepane-2-carboxamide

Systemtic Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-N-oxidanyl-4-(phenylsulfonyl)-1,4-diazepane-2-carboxamide Openeye Name: 4-(benzenesulfonyl)-1-(4-but-2-ynoxyphenyl)sulfonyl-1,4-diazepane-2-carbohydroxamic acid CAS Name: 4-(benzenesulfonyl)-1-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-1,4-diazepane-2-carboxamide IUPAC Name: 4-(benzenesulfonyl)-1-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-1,4-diazepane-2-carboxamide Traditional Name: 4-besyl-1-(4-but-2-ynoxyphenyl)sulfonyl-1,4-diazepane-2-carbohydroxamic acid Formula: C22H25N3O7S2 MolecularWeight: 507.5798

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2C(=O)NO)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2C(=O)NO)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H25N3O7S2/c1-2-3-16-32-18-10-12-20(13-11-18)34(30,31)25-15-7-14-24(17-21(25)22(26)23-27)33(28,29)19-8-5-4-6-9-19/h4-6,8-13,21,27H,7,14-17H2,1H3,(H,23,26)