4-(4-but-2-ynoxyphenyl)sulfonyl-N-oxidanyl-1-(phenylmethyl)-1,4-diazepane-5-carboxamide

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-N-oxidanyl-1-(phenylmethyl)-1,4-diazepane-5-carboxamide Openeye Name: 1-benzyl-4-(4-but-2-ynoxyphenyl)sulfonyl-1,4-diazepane-5-carbohydroxamic acid CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-1-(phenylmethyl)-1,4-diazepane-5-carboxamide IUPAC Name: 1-benzyl-4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-1,4-diazepane-5-carboxamide Traditional Name: 1-benzyl-4-(4-but-2-ynoxyphenyl)sulfonyl-1,4-diazepane-5-carbohydroxamic acid Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CCC2C(=O)NO)CC3=CC=CC=C3

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CCC2C(=O)NO)CC3=CC=CC=C3

InChI

InChI=1S/C23H27N3O5S/c1-2-3-17-31-20-9-11-21(12-10-20)32(29,30)26-16-15-25(14-13-22(26)23(27)24-28)18-19-7-5-4-6-8-19/h4-12,22,28H,13-18H2,1H3,(H,24,27)