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

Systemtic Name: N-methyl-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]-N-methyl-isoquinoline-5-sulfonamide CAS Name: N-[3-[4-(methanesulfonamido)phenyl]-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl]-N-methyl-5-isoquinolinesulfonamide IUPAC Name: N-[3-[4-(methanesulfonamido)phenyl]-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-N-methylisoquinoline-5-sulfonamide Traditional Name: N-[2-keto-1-[4-(methanesulfonamido)benzyl]-2-(4-phenylpiperazino)ethyl]-N-methyl-isoquinoline-5-sulfonamide Formula: C30H33N5O5S2 MolecularWeight: 607.74352

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC=C(C=C1)NS(=O)(=O)C)C(=O)N2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

CN(C(CC1=CC=C(C=C1)NS(=O)(=O)C)C(=O)N2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C30H33N5O5S2/c1-33(42(39,40)29-10-6-7-24-22-31-16-15-27(24)29)28(21-23-11-13-25(14-12-23)32-41(2,37)38)30(36)35-19-17-34(18-20-35)26-8-4-3-5-9-26/h3-16,22,28,32H,17-21H2,1-2H3