[2-nitro-5-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]phenyl]-pyridin-3-yl-methanamine

Systemtic Name: [2-nitro-5-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]phenyl]-pyridin-3-yl-methanamine Openeye Name: [2-nitro-5-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]phenyl]-(3-pyridyl)methanamine CAS Name: [2-nitro-5-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]phenyl]-(3-pyridinyl)methanamine IUPAC Name: [2-nitro-5-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]phenyl]-pyridin-3-ylmethanamine Traditional Name: [[2-nitro-5-[4-(2-nitrophenyl)sulfonylpiperazino]phenyl]-(3-pyridyl)methyl]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-])C(C3=CN=CC=C3)N)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H22N6O6S/c23-22(16-4-3-9-24-15-16)18-14-17(7-8-19(18)27(29)30)25-10-12-26(13-11-25)35(33,34)21-6-2-1-5-20(21)28(31)32/h1-9,14-15,22H,10-13,23H2