2-nitro-5-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-N-(pyridin-3-ylmethyl)aniline

Systemtic Name: 2-nitro-5-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-N-(pyridin-3-ylmethyl)aniline Openeye Name: 2-nitro-5-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-N-(3-pyridylmethyl)aniline CAS Name: 2-nitro-5-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]-N-(3-pyridinylmethyl)aniline IUPAC Name: 2-nitro-5-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-N-(pyridin-3-ylmethyl)aniline Traditional Name: [2-nitro-5-[4-(2-nitrophenyl)sulfonylpiperazino]phenyl]-(3-pyridylmethyl)amine Formula: C22H22N6O6S MolecularWeight: 498.51168

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CN=CC=C3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CN=CC=C3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H22N6O6S/c29-27(30)20-8-7-18(14-19(20)24-16-17-4-3-9-23-15-17)25-10-12-26(13-11-25)35(33,34)22-6-2-1-5-21(22)28(31)32/h1-9,14-15,24H,10-13,16H2