N-[4-[4-[2-(6-nitro-3,4-dihydro-2H-chromen-4-yl)ethyl]piperazin-1-yl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[4-[2-(6-nitro-3,4-dihydro-2H-chromen-4-yl)ethyl]piperazin-1-yl]phenyl]methanesulfonamide Openeye Name: N-[4-[4-[2-(6-nitrochroman-4-yl)ethyl]piperazin-1-yl]phenyl]methanesulfonamide CAS Name: N-[4-[4-[2-(6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl)ethyl]-1-piperazinyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[4-[2-(6-nitro-3,4-dihydro-2H-chromen-4-yl)ethyl]piperazin-1-yl]phenyl]methanesulfonamide Traditional Name: N-[4-[4-[2-(6-nitrochroman-4-yl)ethyl]piperazino]phenyl]methanesulfonamide Formula: C22H28N4O5S MolecularWeight: 460.54652

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=C(C=C1)N2CCN(CC2)CCC3CCOC4=C3C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)NC1=CC=C(C=C1)N2CCN(CC2)CCC3CCOC4=C3C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O5S/c1-32(29,30)23-18-2-4-19(5-3-18)25-13-11-24(12-14-25)10-8-17-9-15-31-22-7-6-20(26(27)28)16-21(17)22/h2-7,16-17,23H,8-15H2,1H3