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

Systemtic Name: N-[3-(4-nitrophenyl)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]isoquinoline-5-sulfonamide Openeye Name: N-[1-[(4-nitrophenyl)methyl]-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]isoquinoline-5-sulfonamide CAS Name: N-[3-(4-nitrophenyl)-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl]-5-isoquinolinesulfonamide IUPAC Name: N-[3-(4-nitrophenyl)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]isoquinoline-5-sulfonamide Traditional Name: N-[2-keto-1-(4-nitrobenzyl)-2-(4-phenylpiperazino)ethyl]isoquinoline-5-sulfonamide Formula: C28H27N5O5S MolecularWeight: 545.60948

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C(CC3=CC=C(C=C3)[N+](=O)[O-])NS(=O)(=O)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C(CC3=CC=C(C=C3)[N+](=O)[O-])NS(=O)(=O)C4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C28H27N5O5S/c34-28(32-17-15-31(16-18-32)23-6-2-1-3-7-23)26(19-21-9-11-24(12-10-21)33(35)36)30-39(37,38)27-8-4-5-22-20-29-14-13-25(22)27/h1-14,20,26,30H,15-19H2