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

Systemtic Name: N-[1-(4-methoxyphenyl)-3-(4-phenylpiperazin-1-yl)propan-2-yl]-N-methyl-isoquinoline-5-sulfonamide Openeye Name: N-[1-[(4-methoxyphenyl)methyl]-2-(4-phenylpiperazin-1-yl)ethyl]-N-methyl-isoquinoline-5-sulfonamide CAS Name: N-[1-(4-methoxyphenyl)-3-(4-phenyl-1-piperazinyl)propan-2-yl]-N-methyl-5-isoquinolinesulfonamide IUPAC Name: N-[1-(4-methoxyphenyl)-3-(4-phenylpiperazin-1-yl)propan-2-yl]-N-methylisoquinoline-5-sulfonamide Traditional Name: N-methyl-N-[1-p-anisyl-2-(4-phenylpiperazino)ethyl]isoquinoline-5-sulfonamide Formula: C30H34N4O3S MolecularWeight: 530.68096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H34N4O3S/c1-32(38(35,36)30-10-6-7-25-22-31-16-15-29(25)30)27(21-24-11-13-28(37-2)14-12-24)23-33-17-19-34(20-18-33)26-8-4-3-5-9-26/h3-16,22,27H,17-21,23H2,1-2H3