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

Systemtic Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-N-oxidanyl-4-thiophen-2-ylcarbonyl-1,4-diazepane-2-carboxamide Openeye Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-4-(thiophene-2-carbonyl)-1,4-diazepane-2-carbohydroxamic acid CAS Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-4-[oxo(thiophen-2-yl)methyl]-1,4-diazepane-2-carboxamide IUPAC Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-4-(thiophene-2-carbonyl)-1,4-diazepane-2-carboxamide Traditional Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-4-(2-thenoyl)-1,4-diazepane-2-carbohydroxamic acid Formula: C21H23N3O6S2 MolecularWeight: 477.55382

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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)C3=CC=CS3

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2C(=O)NO)C(=O)C3=CC=CS3

InChI

InChI=1S/C21H23N3O6S2/c1-2-3-13-30-16-7-9-17(10-8-16)32(28,29)24-12-5-11-23(15-18(24)20(25)22-27)21(26)19-6-4-14-31-19/h4,6-10,14,18,27H,5,11-13,15H2,1H3,(H,22,25)