N-(4-methoxyphenyl)-N-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]isoquinoline-5-sulfonamide

Systemtic Name: N-(4-methoxyphenyl)-N-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]isoquinoline-5-sulfonamide Openeye Name: N-(4-methoxyphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]isoquinoline-5-sulfonamide CAS Name: N-(4-methoxyphenyl)-N-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-5-isoquinolinesulfonamide IUPAC Name: N-(4-methoxyphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]isoquinoline-5-sulfonamide Traditional Name: N-[2-keto-2-(4-phenylpiperazino)ethyl]-N-(4-methoxyphenyl)isoquinoline-5-sulfonamide Formula: C28H28N4O4S MolecularWeight: 516.61132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CC(=O)N2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

COC1=CC=C(C=C1)N(CC(=O)N2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C28H28N4O4S/c1-36-25-12-10-24(11-13-25)32(37(34,35)27-9-5-6-22-20-29-15-14-26(22)27)21-28(33)31-18-16-30(17-19-31)23-7-3-2-4-8-23/h2-15,20H,16-19,21H2,1H3