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

Systemtic Name: N-[1-(4-hydroxyphenyl)-3-(4-phenyl-1,4-diazepan-1-yl)propan-2-yl]isoquinoline-5-sulfonamide Openeye Name: N-[1-[(4-hydroxyphenyl)methyl]-2-(4-phenyl-1,4-diazepan-1-yl)ethyl]isoquinoline-5-sulfonamide CAS Name: N-[1-(4-hydroxyphenyl)-3-(4-phenyl-1,4-diazepan-1-yl)propan-2-yl]-5-isoquinolinesulfonamide IUPAC Name: N-[1-(4-hydroxyphenyl)-3-(4-phenyl-1,4-diazepan-1-yl)propan-2-yl]isoquinoline-5-sulfonamide Traditional Name: N-[1-(4-hydroxybenzyl)-2-(4-phenyl-1,4-diazepan-1-yl)ethyl]isoquinoline-5-sulfonamide Formula: C29H32N4O3S MolecularWeight: 516.65438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H32N4O3S/c34-27-12-10-23(11-13-27)20-25(22-32-16-5-17-33(19-18-32)26-7-2-1-3-8-26)31-37(35,36)29-9-4-6-24-21-30-15-14-28(24)29/h1-4,6-15,21,25,31,34H,5,16-20,22H2