N-[3-[4-(methylsulfonylamino)phenyl]-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]isoquinoline-5-sulfonamide

Systemtic Name: N-[3-[4-(methylsulfonylamino)phenyl]-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]isoquinoline-5-sulfonamide Openeye Name: N-[1-[[4-(methanesulfonamido)phenyl]methyl]-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]isoquinoline-5-sulfonamide CAS Name: N-[3-[4-(methanesulfonamido)phenyl]-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl]-5-isoquinolinesulfonamide IUPAC Name: N-[3-[4-(methanesulfonamido)phenyl]-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]isoquinoline-5-sulfonamide Traditional Name: N-[2-keto-1-[4-(methanesulfonamido)benzyl]-2-(4-phenylpiperazino)ethyl]isoquinoline-5-sulfonamide Formula: C29H31N5O5S2 MolecularWeight: 593.71694

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=C(C=C1)CC(C(=O)N2CCN(CC2)C3=CC=CC=C3)NS(=O)(=O)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

CS(=O)(=O)NC1=CC=C(C=C1)CC(C(=O)N2CCN(CC2)C3=CC=CC=C3)NS(=O)(=O)C4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C29H31N5O5S2/c1-40(36,37)31-24-12-10-22(11-13-24)20-27(29(35)34-18-16-33(17-19-34)25-7-3-2-4-8-25)32-41(38,39)28-9-5-6-23-21-30-15-14-26(23)28/h2-15,21,27,31-32H,16-20H2,1H3