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

Systemtic Name: N-[3-(4-hydroxyphenyl)-1-oxidanylidene-1-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]propan-2-yl]isoquinoline-5-sulfonamide Openeye Name: N-[1-[(4-hydroxyphenyl)methyl]-2-oxo-2-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]ethyl]isoquinoline-5-sulfonamide CAS Name: N-[3-(4-hydroxyphenyl)-1-oxo-1-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]propan-2-yl]-5-isoquinolinesulfonamide IUPAC Name: N-[3-(4-hydroxyphenyl)-1-oxo-1-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]propan-2-yl]isoquinoline-5-sulfonamide Traditional Name: N-[1-(4-hydroxybenzyl)-2-keto-2-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]ethyl]isoquinoline-5-sulfonamide Formula: C32H36N4O4S MolecularWeight: 572.71764

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C(CC2=CC=C(C=C2)O)NS(=O)(=O)C3=CC=CC4=C3C=CN=C4)CCCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C(CC2=CC=C(C=C2)O)NS(=O)(=O)C3=CC=CC4=C3C=CN=C4)CCCC5=CC=CC=C5

InChI

InChI=1S/C32H36N4O4S/c37-28-14-12-26(13-15-28)23-30(34-41(39,40)31-11-4-10-27-24-33-17-16-29(27)31)32(38)36-20-6-19-35(21-22-36)18-5-9-25-7-2-1-3-8-25/h1-4,7-8,10-17,24,30,34,37H,5-6,9,18-23H2