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

Systemtic Name: 2-azanyl-3-(4-hydroxyphenyl)-1-[2-isoquinolin-1-ylsulfonyl-1-methyl-4-(4-nitrophenyl)piperazin-2-yl]propan-1-one Openeye Name: 2-amino-3-(4-hydroxyphenyl)-1-[2-(1-isoquinolylsulfonyl)-1-methyl-4-(4-nitrophenyl)piperazin-2-yl]propan-1-one CAS Name: 2-amino-3-(4-hydroxyphenyl)-1-[2-(1-isoquinolinylsulfonyl)-1-methyl-4-(4-nitrophenyl)-2-piperazinyl]-1-propanone IUPAC Name: 2-amino-3-(4-hydroxyphenyl)-1-[2-isoquinolin-1-ylsulfonyl-1-methyl-4-(4-nitrophenyl)piperazin-2-yl]propan-1-one Traditional Name: 2-amino-3-(4-hydroxyphenyl)-1-[2-(1-isoquinolylsulfonyl)-1-methyl-4-(4-nitrophenyl)piperazin-2-yl]propan-1-one Formula: C29H29N5O6S MolecularWeight: 575.63546

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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+](=O)[O-]

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+](=O)[O-]

InChI

InChI=1S/C29H29N5O6S/c1-32-16-17-33(22-8-10-23(11-9-22)34(37)38)19-29(32,27(36)26(30)18-20-6-12-24(35)13-7-20)41(39,40)28-25-5-3-2-4-21(25)14-15-31-28/h2-15,26,35H,16-19,30H2,1H3