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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCC2=CC=CC=C2)CC(CC3=CC=C(C=C3)O)NS(=O)(=O)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCC2=CC=CC=C2)CC(CC3=CC=C(C=C3)O)NS(=O)(=O)C4=CC=CC5=C4C=CN=C5

InChI

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