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

Systemtic Name: N-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]isoquinoline-5-sulfonamide Openeye Name: N-[2-oxo-2-[4-(p-tolylmethyl)piperazin-1-yl]ethyl]isoquinoline-5-sulfonamide CAS Name: N-[2-[4-[(4-methylphenyl)methyl]-1-piperazinyl]-2-oxoethyl]-5-isoquinolinesulfonamide IUPAC Name: N-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]isoquinoline-5-sulfonamide Traditional Name: N-[2-keto-2-[4-(4-methylbenzyl)piperazino]ethyl]isoquinoline-5-sulfonamide Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCN(CC2)C(=O)CNS(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCN(CC2)C(=O)CNS(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C23H26N4O3S/c1-18-5-7-19(8-6-18)17-26-11-13-27(14-12-26)23(28)16-25-31(29,30)22-4-2-3-20-15-24-10-9-21(20)22/h2-10,15,25H,11-14,16-17H2,1H3