1-(4-but-2-ynoxyphenyl)sulfonyl-N-oxidanyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide

Systemtic Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-N-oxidanyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide Openeye Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-4-(3-pyridylmethyl)piperazine-2-carbohydroxamic acid CAS Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-4-(3-pyridinylmethyl)-2-piperazinecarboxamide IUPAC Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide Traditional Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-4-(3-pyridylmethyl)piperazine-2-carbohydroxamic acid Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)NO)CC3=CN=CC=C3

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)NO)CC3=CN=CC=C3

InChI

InChI=1S/C21H24N4O5S/c1-2-3-13-30-18-6-8-19(9-7-18)31(28,29)25-12-11-24(16-20(25)21(26)23-27)15-17-5-4-10-22-14-17/h4-10,14,20,27H,11-13,15-16H2,1H3,(H,23,26)