2-(4-but-2-ynoxyphenyl)-N-oxidanyl-1-sulfonyl-3,4-dihydroisoquinoline-3-carboxamide

Systemtic Name: 2-(4-but-2-ynoxyphenyl)-N-oxidanyl-1-sulfonyl-3,4-dihydroisoquinoline-3-carboxamide Openeye Name: 2-(4-but-2-ynoxyphenyl)-1-sulfonyl-3,4-dihydroisoquinoline-3-carbohydroxamic acid CAS Name: 2-(4-but-2-ynoxyphenyl)-N-hydroxy-1-sulfonyl-3,4-dihydroisoquinoline-3-carboxamide IUPAC Name: 2-(4-but-2-ynoxyphenyl)-N-hydroxy-1-sulfonyl-3,4-dihydroisoquinoline-3-carboxamide Traditional Name: 2-(4-but-2-ynoxyphenyl)-1-sulfonyl-3,4-dihydroisoquinoline-3-carbohydroxamic acid Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)N2C(CC3=CC=CC=C3C2=S(=O)=O)C(=O)NO

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)N2C(CC3=CC=CC=C3C2=S(=O)=O)C(=O)NO

InChI

InChI=1S/C20H18N2O5S/c1-2-3-12-27-16-10-8-15(9-11-16)22-18(19(23)21-24)13-14-6-4-5-7-17(14)20(22)28(25)26/h4-11,18,24H,12-13H2,1H3,(H,21,23)