N-[3-(4-hydroxyphenyl)-1-oxidanylidene-1-[4-(3-phenylpropanoyl)piperazin-1-yl]propan-2-yl]isoquinoline-5-sulfonamide

Systemtic Name: N-[3-(4-hydroxyphenyl)-1-oxidanylidene-1-[4-(3-phenylpropanoyl)piperazin-1-yl]propan-2-yl]isoquinoline-5-sulfonamide Openeye Name: N-[1-[(4-hydroxyphenyl)methyl]-2-oxo-2-[4-(3-phenylpropanoyl)piperazin-1-yl]ethyl]isoquinoline-5-sulfonamide CAS Name: N-[3-(4-hydroxyphenyl)-1-oxo-1-[4-(1-oxo-3-phenylpropyl)-1-piperazinyl]propan-2-yl]-5-isoquinolinesulfonamide IUPAC Name: N-[3-(4-hydroxyphenyl)-1-oxo-1-[4-(3-phenylpropanoyl)piperazin-1-yl]propan-2-yl]isoquinoline-5-sulfonamide Traditional Name: N-[2-(4-hydrocinnamoylpiperazino)-1-(4-hydroxybenzyl)-2-keto-ethyl]isoquinoline-5-sulfonamide Formula: C31H32N4O5S MolecularWeight: 572.67458

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC2=CC=CC=C2)C(=O)C(CC3=CC=C(C=C3)O)NS(=O)(=O)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

C1CN(CCN1C(=O)CCC2=CC=CC=C2)C(=O)C(CC3=CC=C(C=C3)O)NS(=O)(=O)C4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C31H32N4O5S/c36-26-12-9-24(10-13-26)21-28(33-41(39,40)29-8-4-7-25-22-32-16-15-27(25)29)31(38)35-19-17-34(18-20-35)30(37)14-11-23-5-2-1-3-6-23/h1-10,12-13,15-16,22,28,33,36H,11,14,17-21H2