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

Systemtic Name: N-[3-(4-hydroxyphenyl)-1-oxidanylidene-1-[4-(3-phenylpropyl)piperazin-1-yl]propan-2-yl]isoquinoline-5-sulfonamide Openeye Name: N-[1-[(4-hydroxyphenyl)methyl]-2-oxo-2-[4-(3-phenylpropyl)piperazin-1-yl]ethyl]isoquinoline-5-sulfonamide CAS Name: N-[3-(4-hydroxyphenyl)-1-oxo-1-[4-(3-phenylpropyl)-1-piperazinyl]propan-2-yl]-5-isoquinolinesulfonamide IUPAC Name: N-[3-(4-hydroxyphenyl)-1-oxo-1-[4-(3-phenylpropyl)piperazin-1-yl]propan-2-yl]isoquinoline-5-sulfonamide Traditional Name: N-[1-(4-hydroxybenzyl)-2-keto-2-[4-(3-phenylpropyl)piperazino]ethyl]isoquinoline-5-sulfonamide Formula: C31H34N4O4S MolecularWeight: 558.69106

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC2=CC=CC=C2)C(=O)C(CC3=CC=C(C=C3)O)NS(=O)(=O)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

C1CN(CCN1CCCC2=CC=CC=C2)C(=O)C(CC3=CC=C(C=C3)O)NS(=O)(=O)C4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C31H34N4O4S/c36-27-13-11-25(12-14-27)22-29(33-40(38,39)30-10-4-9-26-23-32-16-15-28(26)30)31(37)35-20-18-34(19-21-35)17-5-8-24-6-2-1-3-7-24/h1-4,6-7,9-16,23,29,33,36H,5,8,17-22H2