1-[4-(4-aminophenyl)-2-isoquinolin-1-ylsulfonyl-1-methyl-piperazin-2-yl]-2-azanyl-3-(4-hydroxyphenyl)propan-1-one

Systemtic Name: 1-[4-(4-aminophenyl)-2-isoquinolin-1-ylsulfonyl-1-methyl-piperazin-2-yl]-2-azanyl-3-(4-hydroxyphenyl)propan-1-one Openeye Name: 2-amino-1-[4-(4-aminophenyl)-2-(1-isoquinolylsulfonyl)-1-methyl-piperazin-2-yl]-3-(4-hydroxyphenyl)propan-1-one CAS Name: 2-amino-1-[4-(4-aminophenyl)-2-(1-isoquinolinylsulfonyl)-1-methyl-2-piperazinyl]-3-(4-hydroxyphenyl)-1-propanone IUPAC Name: 2-amino-1-[4-(4-aminophenyl)-2-isoquinolin-1-ylsulfonyl-1-methylpiperazin-2-yl]-3-(4-hydroxyphenyl)propan-1-one Traditional Name: 2-amino-1-[4-(4-aminophenyl)-2-(1-isoquinolylsulfonyl)-1-methyl-piperazin-2-yl]-3-(4-hydroxyphenyl)propan-1-one Formula: C29H31N5O4S MolecularWeight: 545.65254

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1(C(=O)C(CC2=CC=C(C=C2)O)N)S(=O)(=O)C3=NC=CC4=CC=CC=C43)C5=CC=C(C=C5)N

Isomeric SMILES

CN1CCN(CC1(C(=O)C(CC2=CC=C(C=C2)O)N)S(=O)(=O)C3=NC=CC4=CC=CC=C43)C5=CC=C(C=C5)N

InChI

InChI=1S/C29H31N5O4S/c1-33-16-17-34(23-10-8-22(30)9-11-23)19-29(33,27(36)26(31)18-20-6-12-24(35)13-7-20)39(37,38)28-25-5-3-2-4-21(25)14-15-32-28/h2-15,26,35H,16-19,30-31H2,1H3