N,N-dimethyl-4-[3-(4-methyl-1-oxidanylidene-phthalazin-2-yl)-4-nitro-phenyl]piperazine-1-sulfonamide

Systemtic Name: N,N-dimethyl-4-[3-(4-methyl-1-oxidanylidene-phthalazin-2-yl)-4-nitro-phenyl]piperazine-1-sulfonamide Openeye Name: N,N-dimethyl-4-[3-(4-methyl-1-oxo-phthalazin-2-yl)-4-nitro-phenyl]piperazine-1-sulfonamide CAS Name: N,N-dimethyl-4-[3-(4-methyl-1-oxo-2-phthalazinyl)-4-nitrophenyl]-1-piperazinesulfonamide IUPAC Name: N,N-dimethyl-4-[3-(4-methyl-1-oxophthalazin-2-yl)-4-nitrophenyl]piperazine-1-sulfonamide Traditional Name: 4-[3-(1-keto-4-methyl-phthalazin-2-yl)-4-nitro-phenyl]-N,N-dimethyl-piperazine-1-sulfonamide Formula: C21H24N6O5S MolecularWeight: 472.51746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)N4CCN(CC4)S(=O)(=O)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)N4CCN(CC4)S(=O)(=O)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H24N6O5S/c1-15-17-6-4-5-7-18(17)21(28)26(22-15)20-14-16(8-9-19(20)27(29)30)24-10-12-25(13-11-24)33(31,32)23(2)3/h4-9,14H,10-13H2,1-3H3