N-[3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxidanylidene-propyl]isoquinoline-5-sulfonamide

Systemtic Name: N-[3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxidanylidene-propyl]isoquinoline-5-sulfonamide Openeye Name: N-[3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxo-propyl]isoquinoline-5-sulfonamide CAS Name: N-[3-[4-(4-nitrophenyl)-1-piperazinyl]-3-oxopropyl]-5-isoquinolinesulfonamide IUPAC Name: N-[3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl]isoquinoline-5-sulfonamide Traditional Name: N-[3-keto-3-[4-(4-nitrophenyl)piperazino]propyl]isoquinoline-5-sulfonamide Formula: C22H23N5O5S MolecularWeight: 469.51352

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCNS(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCNS(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C22H23N5O5S/c28-22(26-14-12-25(13-15-26)18-4-6-19(7-5-18)27(29)30)9-11-24-33(31,32)21-3-1-2-17-16-23-10-8-20(17)21/h1-8,10,16,24H,9,11-15H2