N-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]isoquinoline-5-sulfonamide

Systemtic Name: N-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]isoquinoline-5-sulfonamide Openeye Name: N-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl]isoquinoline-5-sulfonamide CAS Name: N-[2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl]-5-isoquinolinesulfonamide IUPAC Name: N-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]isoquinoline-5-sulfonamide Traditional Name: N-[2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl]isoquinoline-5-sulfonamide Formula: C21H21N5O5S MolecularWeight: 455.48694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O5S/c27-21(15-23-32(30,31)20-3-1-2-16-14-22-9-8-19(16)20)25-12-10-24(11-13-25)17-4-6-18(7-5-17)26(28)29/h1-9,14,23H,10-13,15H2