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

Systemtic Name: N-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]isoquinoline-5-sulfonamide Openeye Name: N-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxo-ethyl]isoquinoline-5-sulfonamide CAS Name: N-[2-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-2-oxoethyl]-5-isoquinolinesulfonamide IUPAC Name: N-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]isoquinoline-5-sulfonamide Traditional Name: N-[2-[4-(4-chlorobenzyl)piperazino]-2-keto-ethyl]isoquinoline-5-sulfonamide Formula: C22H23ClN4O3S MolecularWeight: 458.96102

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=O)CNS(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=O)CNS(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C22H23ClN4O3S/c23-19-6-4-17(5-7-19)16-26-10-12-27(13-11-26)22(28)15-25-31(29,30)21-3-1-2-18-14-24-9-8-20(18)21/h1-9,14,25H,10-13,15-16H2