2-(4-but-2-ynoxyphenyl)sulfonyl-N-oxidanyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-N-oxidanyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbohydroxamic acid CAS Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbohydroxamic acid Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NO

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NO

InChI

InChI=1S/C20H20N2O5S/c1-2-3-12-27-17-8-10-18(11-9-17)28(25,26)22-14-16-7-5-4-6-15(16)13-19(22)20(23)21-24/h4-11,19,24H,12-14H2,1H3,(H,21,23)