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

Systemtic Name: N-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]-N-propyl-isoquinoline-5-sulfonamide Openeye Name: N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-propyl-isoquinoline-5-sulfonamide CAS Name: N-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-N-propyl-5-isoquinolinesulfonamide IUPAC Name: N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-propylisoquinoline-5-sulfonamide Traditional Name: N-[2-keto-2-(4-phenylpiperazino)ethyl]-N-propyl-isoquinoline-5-sulfonamide Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O3S/c1-2-13-28(32(30,31)23-10-6-7-20-18-25-12-11-22(20)23)19-24(29)27-16-14-26(15-17-27)21-8-4-3-5-9-21/h3-12,18H,2,13-17,19H2,1H3