N-[(E)-(4-dimethylaminophenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)sulfonyl-4-nitro-aniline

Systemtic Name: N-[(E)-(4-dimethylaminophenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)sulfonyl-4-nitro-aniline Openeye Name: N-[(E)-(4-dimethylaminophenyl)methyleneamino]-2-(4-methylpiperazin-1-yl)sulfonyl-4-nitro-aniline CAS Name: N-[(E)-(4-dimethylaminophenyl)methylideneamino]-2-[(4-methyl-1-piperazinyl)sulfonyl]-4-nitroaniline IUPAC Name: N-[(E)-(4-dimethylaminophenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)sulfonyl-4-nitroaniline Traditional Name: dimethyl-[4-[(E)-[[2-(4-methylpiperazino)sulfonyl-4-nitro-phenyl]hydrazono]methyl]phenyl]amine Formula: C20H26N6O4S MolecularWeight: 446.52324

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NN=CC3=CC=C(C=C3)N(C)C

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N/N=C/C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C20H26N6O4S/c1-23(2)17-6-4-16(5-7-17)15-21-22-19-9-8-18(26(27)28)14-20(19)31(29,30)25-12-10-24(3)11-13-25/h4-9,14-15,22H,10-13H2,1-3H3/b21-15+