1-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-oxidanyl-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: 1-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-oxidanyl-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: 1-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline-2-carbohydroxamic acid CAS Name: 1-[[4-(4-chlorophenyl)-1-piperazinyl]sulfonyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: 1-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: 1-[4-(4-chlorophenyl)piperazino]sulfonyl-3,4-dihydro-1H-isoquinoline-2-carbohydroxamic acid Formula: C20H23ClN4O4S MolecularWeight: 450.93902

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)Cl)C(=O)NO

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)Cl)C(=O)NO

InChI

InChI=1S/C20H23ClN4O4S/c21-16-5-7-17(8-6-16)23-11-13-24(14-12-23)30(28,29)19-18-4-2-1-3-15(18)9-10-25(19)20(26)22-27/h1-8,19,27H,9-14H2,(H,22,26)