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

Systemtic Name: N-(2-methoxyethyl)-N-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]isoquinoline-5-sulfonamide Openeye Name: N-(2-methoxyethyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]isoquinoline-5-sulfonamide CAS Name: N-(2-methoxyethyl)-N-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-5-isoquinolinesulfonamide IUPAC Name: N-(2-methoxyethyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]isoquinoline-5-sulfonamide Traditional Name: N-[2-keto-2-(4-phenylpiperazino)ethyl]-N-(2-methoxyethyl)isoquinoline-5-sulfonamide Formula: C24H28N4O4S MolecularWeight: 468.56852

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC(=O)N1CCN(CC1)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

COCCN(CC(=O)N1CCN(CC1)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C24H28N4O4S/c1-32-17-16-28(33(30,31)23-9-5-6-20-18-25-11-10-22(20)23)19-24(29)27-14-12-26(13-15-27)21-7-3-2-4-8-21/h2-11,18H,12-17,19H2,1H3