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

Systemtic Name: N-[2-[4-(4-cyanophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]isoquinoline-5-sulfonamide Openeye Name: N-[2-[4-(4-cyanophenyl)piperazin-1-yl]-2-oxo-ethyl]isoquinoline-5-sulfonamide CAS Name: N-[2-[4-(4-cyanophenyl)-1-piperazinyl]-2-oxoethyl]-5-isoquinolinesulfonamide IUPAC Name: N-[2-[4-(4-cyanophenyl)piperazin-1-yl]-2-oxoethyl]isoquinoline-5-sulfonamide Traditional Name: N-[2-[4-(4-cyanophenyl)piperazino]-2-keto-ethyl]isoquinoline-5-sulfonamide Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O3S/c23-14-17-4-6-19(7-5-17)26-10-12-27(13-11-26)22(28)16-25-31(29,30)21-3-1-2-18-15-24-9-8-20(18)21/h1-9,15,25H,10-13,16H2