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

Systemtic Name: N-[1-(4-hydroxyphenyl)-3-[4-(phenylcarbonyl)piperazin-1-yl]propan-2-yl]-N-methyl-isoquinoline-5-sulfonamide Openeye Name: N-[1-[(4-benzoylpiperazin-1-yl)methyl]-2-(4-hydroxyphenyl)ethyl]-N-methyl-isoquinoline-5-sulfonamide CAS Name: N-[1-(4-benzoyl-1-piperazinyl)-3-(4-hydroxyphenyl)propan-2-yl]-N-methyl-5-isoquinolinesulfonamide IUPAC Name: N-[1-(4-benzoylpiperazin-1-yl)-3-(4-hydroxyphenyl)propan-2-yl]-N-methylisoquinoline-5-sulfonamide Traditional Name: N-[1-[(4-benzoylpiperazino)methyl]-2-(4-hydroxyphenyl)ethyl]-N-methyl-isoquinoline-5-sulfonamide Formula: C30H32N4O4S MolecularWeight: 544.66448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC=C(C=C1)O)CN2CCN(CC2)C(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

CN(C(CC1=CC=C(C=C1)O)CN2CCN(CC2)C(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C30H32N4O4S/c1-32(39(37,38)29-9-5-8-25-21-31-15-14-28(25)29)26(20-23-10-12-27(35)13-11-23)22-33-16-18-34(19-17-33)30(36)24-6-3-2-4-7-24/h2-15,21,26,35H,16-20,22H2,1H3