N-methyl-N-[1-phenyl-3-(4-phenylpiperazin-1-yl)propan-2-yl]isoquinoline-5-sulfonamide

Systemtic Name: N-methyl-N-[1-phenyl-3-(4-phenylpiperazin-1-yl)propan-2-yl]isoquinoline-5-sulfonamide Openeye Name: N-[1-benzyl-2-(4-phenylpiperazin-1-yl)ethyl]-N-methyl-isoquinoline-5-sulfonamide CAS Name: N-methyl-N-[1-phenyl-3-(4-phenyl-1-piperazinyl)propan-2-yl]-5-isoquinolinesulfonamide IUPAC Name: N-methyl-N-[1-phenyl-3-(4-phenylpiperazin-1-yl)propan-2-yl]isoquinoline-5-sulfonamide Traditional Name: N-[1-benzyl-2-(4-phenylpiperazino)ethyl]-N-methyl-isoquinoline-5-sulfonamide Formula: C29H32N4O2S MolecularWeight: 500.65498

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC=CC=C1)CN2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

CN(C(CC1=CC=CC=C1)CN2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C29H32N4O2S/c1-31(36(34,35)29-14-8-11-25-22-30-16-15-28(25)29)27(21-24-9-4-2-5-10-24)23-32-17-19-33(20-18-32)26-12-6-3-7-13-26/h2-16,22,27H,17-21,23H2,1H3