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

Systemtic Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-N-oxidanyl-4-(phenylmethyl)-1,4-diazepane-2-carboxamide Openeye Name: 4-benzyl-1-(4-but-2-ynoxyphenyl)sulfonyl-1,4-diazepane-2-carbohydroxamic acid CAS Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-4-(phenylmethyl)-1,4-diazepane-2-carboxamide IUPAC Name: 4-benzyl-1-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-1,4-diazepane-2-carboxamide Traditional Name: 4-benzyl-1-(4-but-2-ynoxyphenyl)sulfonyl-1,4-diazepane-2-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)N2CCCN(CC2C(=O)NO)CC3=CC=CC=C3

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2C(=O)NO)CC3=CC=CC=C3

InChI

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