4-[4-[[(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)amino]methyl]phenyl]piperazin-2-one

Systemtic Name: 4-[4-[[(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)amino]methyl]phenyl]piperazin-2-one Openeye Name: 4-[4-[[2-nitro-4-(1-piperidylsulfonyl)anilino]methyl]phenyl]piperazin-2-one CAS Name: 4-[4-[[2-nitro-4-(1-piperidinylsulfonyl)anilino]methyl]phenyl]-2-piperazinone IUPAC Name: 4-[4-[(2-nitro-4-piperidin-1-ylsulfonylanilino)methyl]phenyl]piperazin-2-one Traditional Name: 4-[4-[(2-nitro-4-piperidinosulfonyl-anilino)methyl]phenyl]piperazin-2-one Formula: C22H27N5O5S MolecularWeight: 473.54528

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=C(C=C3)N4CCNC(=O)C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=C(C=C3)N4CCNC(=O)C4)[N+](=O)[O-]

InChI

InChI=1S/C22H27N5O5S/c28-22-16-25(13-10-23-22)18-6-4-17(5-7-18)15-24-20-9-8-19(14-21(20)27(29)30)33(31,32)26-11-2-1-3-12-26/h4-9,14,24H,1-3,10-13,15-16H2,(H,23,28)