N2,N2-diethyl-N5-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]pyridine-2,5-diamine

Systemtic Name: N2,N2-diethyl-N5-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]pyridine-2,5-diamine Openeye Name: N2,N2-diethyl-N5-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]pyridine-2,5-diamine CAS Name: N2,N2-diethyl-N5-[4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitrophenyl]pyridine-2,5-diamine IUPAC Name: 2-N,2-N-diethyl-5-N-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitrophenyl]pyridine-2,5-diamine Traditional Name: diethyl-[5-[4-(4-methylpiperazino)sulfonyl-2-nitro-anilino]-2-pyridyl]amine Formula: C20H28N6O4S MolecularWeight: 448.53912

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C1=NC=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H28N6O4S/c1-4-24(5-2)20-9-6-16(15-21-20)22-18-8-7-17(14-19(18)26(27)28)31(29,30)25-12-10-23(3)11-13-25/h6-9,14-15,22H,4-5,10-13H2,1-3H3