N-[3-(dimethylamino)propyl]-3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)benzenesulfonamide

Systemtic Name: N-[3-(dimethylamino)propyl]-3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)benzenesulfonamide Openeye Name: N-[3-(dimethylamino)propyl]-3-nitro-4-[4-(2-pyridyl)piperazin-1-yl]benzenesulfonamide CAS Name: N-[3-(dimethylamino)propyl]-3-nitro-4-[4-(2-pyridinyl)-1-piperazinyl]benzenesulfonamide IUPAC Name: N-[3-(dimethylamino)propyl]-3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)benzenesulfonamide Traditional Name: N-[3-(dimethylamino)propyl]-3-nitro-4-[4-(2-pyridyl)piperazino]benzenesulfonamide Formula: C20H28N6O4S MolecularWeight: 448.53912

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCCNS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C20H28N6O4S/c1-23(2)11-5-10-22-31(29,30)17-7-8-18(19(16-17)26(27)28)24-12-14-25(15-13-24)20-6-3-4-9-21-20/h3-4,6-9,16,22H,5,10-15H2,1-2H3