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

Systemtic Name: N-[1-(4-hydroxyphenyl)-3-(4-phenyl-1,4-diazepan-1-yl)propan-2-yl]-N-methyl-isoquinoline-5-sulfonamide Openeye Name: N-[1-[(4-hydroxyphenyl)methyl]-2-(4-phenyl-1,4-diazepan-1-yl)ethyl]-N-methyl-isoquinoline-5-sulfonamide CAS Name: N-[1-(4-hydroxyphenyl)-3-(4-phenyl-1,4-diazepan-1-yl)propan-2-yl]-N-methyl-5-isoquinolinesulfonamide IUPAC Name: N-[1-(4-hydroxyphenyl)-3-(4-phenyl-1,4-diazepan-1-yl)propan-2-yl]-N-methylisoquinoline-5-sulfonamide Traditional Name: N-[1-(4-hydroxybenzyl)-2-(4-phenyl-1,4-diazepan-1-yl)ethyl]-N-methyl-isoquinoline-5-sulfonamide Formula: C30H34N4O3S MolecularWeight: 530.68096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC=C(C=C1)O)CN2CCCN(CC2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

CN(C(CC1=CC=C(C=C1)O)CN2CCCN(CC2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C30H34N4O3S/c1-32(38(36,37)30-10-5-7-25-22-31-16-15-29(25)30)27(21-24-11-13-28(35)14-12-24)23-33-17-6-18-34(20-19-33)26-8-3-2-4-9-26/h2-5,7-16,22,27,35H,6,17-21,23H2,1H3