1-(2-diethylaminoethyl)-N-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]pyrazol-4-amine

Systemtic Name: 1-(2-diethylaminoethyl)-N-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]pyrazol-4-amine Openeye Name: 1-(2-diethylaminoethyl)-N-[4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]pyrazol-4-amine CAS Name: 1-(2-diethylaminoethyl)-N-[4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]-4-pyrazolamine IUPAC Name: 1-(2-diethylaminoethyl)-N-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]pyrazol-4-amine Traditional Name: diethyl-[2-[4-[4-(4-methylpiperidino)sulfonyl-2-nitro-anilino]pyrazol-1-yl]ethyl]amine Formula: C21H32N6O4S MolecularWeight: 464.58158

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C=C(C=N1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCN1C=C(C=N1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H32N6O4S/c1-4-24(5-2)12-13-25-16-18(15-22-25)23-20-7-6-19(14-21(20)27(28)29)32(30,31)26-10-8-17(3)9-11-26/h6-7,14-17,23H,4-5,8-13H2,1-3H3