4-[5-nitro-2-[4-(2-phenylsulfanylethyl)piperazin-1-yl]phenyl]sulfonylmorpholine

Systemtic Name: 4-[5-nitro-2-[4-(2-phenylsulfanylethyl)piperazin-1-yl]phenyl]sulfonylmorpholine Openeye Name: 4-[5-nitro-2-[4-(2-phenylsulfanylethyl)piperazin-1-yl]phenyl]sulfonylmorpholine CAS Name: 4-[5-nitro-2-[4-[2-(phenylthio)ethyl]-1-piperazinyl]phenyl]sulfonylmorpholine IUPAC Name: 4-[5-nitro-2-[4-(2-phenylsulfanylethyl)piperazin-1-yl]phenyl]sulfonylmorpholine Traditional Name: 4-[5-nitro-2-[4-[2-(phenylthio)ethyl]piperazino]phenyl]sulfonylmorpholine Formula: C22H28N4O5S2 MolecularWeight: 492.61152

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCSC2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CN(CCN1CCSC2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H28N4O5S2/c27-26(28)19-6-7-21(22(18-19)33(29,30)25-12-15-31-16-13-25)24-10-8-23(9-11-24)14-17-32-20-4-2-1-3-5-20/h1-7,18H,8-17H2