4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-N-[2-(1-phenylpyrazol-4-yl)ethyl]aniline

Systemtic Name: 4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-N-[2-(1-phenylpyrazol-4-yl)ethyl]aniline Openeye Name: 4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-N-[2-(1-phenylpyrazol-4-yl)ethyl]aniline CAS Name: 4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitro-N-[2-(1-phenyl-4-pyrazolyl)ethyl]aniline IUPAC Name: 4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-N-[2-(1-phenylpyrazol-4-yl)ethyl]aniline Traditional Name: [4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]-[2-(1-phenylpyrazol-4-yl)ethyl]amine Formula: C22H26N6O4S MolecularWeight: 470.54464

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCC3=CN(N=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCC3=CN(N=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H26N6O4S/c1-25-11-13-26(14-12-25)33(31,32)20-7-8-21(22(15-20)28(29)30)23-10-9-18-16-24-27(17-18)19-5-3-2-4-6-19/h2-8,15-17,23H,9-14H2,1H3