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

Systemtic Name: 4-(2-azanylethanoyl)-1-(4-but-2-ynoxyphenyl)sulfonyl-N-oxidanyl-1,4-diazepane-2-carboxamide Openeye Name: 4-(2-aminoacetyl)-1-(4-but-2-ynoxyphenyl)sulfonyl-1,4-diazepane-2-carbohydroxamic acid CAS Name: 4-(2-amino-1-oxoethyl)-1-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-1,4-diazepane-2-carboxamide IUPAC Name: 4-(2-aminoacetyl)-1-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-1,4-diazepane-2-carboxamide Traditional Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-4-glycyl-1,4-diazepane-2-carbohydroxamic acid Formula: C18H24N4O6S MolecularWeight: 424.47136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O6S/c1-2-3-11-28-14-5-7-15(8-6-14)29(26,27)22-10-4-9-21(17(23)12-19)13-16(22)18(24)20-25/h5-8,16,25H,4,9-13,19H2,1H3,(H,20,24)