N-[2-[4-(4-iodophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]isoquinoline-5-sulfonamide

Systemtic Name: N-[2-[4-(4-iodophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]isoquinoline-5-sulfonamide Openeye Name: N-[2-[4-(4-iodophenyl)piperazin-1-yl]-2-oxo-ethyl]isoquinoline-5-sulfonamide CAS Name: N-[2-[4-(4-iodophenyl)-1-piperazinyl]-2-oxoethyl]-5-isoquinolinesulfonamide IUPAC Name: N-[2-[4-(4-iodophenyl)piperazin-1-yl]-2-oxoethyl]isoquinoline-5-sulfonamide Traditional Name: N-[2-[4-(4-iodophenyl)piperazino]-2-keto-ethyl]isoquinoline-5-sulfonamide Formula: C21H21IN4O3S MolecularWeight: 536.38591

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)I)C(=O)CNS(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)I)C(=O)CNS(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C21H21IN4O3S/c22-17-4-6-18(7-5-17)25-10-12-26(13-11-25)21(27)15-24-30(28,29)20-3-1-2-16-14-23-9-8-19(16)20/h1-9,14,24H,10-13,15H2