5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-[[(2R)-oxolan-2-yl]methyl]aniline

Systemtic Name: 5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-[[(2R)-oxolan-2-yl]methyl]aniline Openeye Name: 2-nitro-5-[4-(p-tolylsulfonyl)piperazin-1-yl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]aniline CAS Name: 5-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-nitro-N-[[(2R)-2-oxolanyl]methyl]aniline IUPAC Name: 5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-[[(2R)-oxolan-2-yl]methyl]aniline Traditional Name: [2-nitro-5-(4-tosylpiperazino)phenyl]-[[(2R)-tetrahydrofuran-2-yl]methyl]amine Formula: C22H28N4O5S MolecularWeight: 460.54652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4CCCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NC[C@H]4CCCO4

InChI

InChI=1S/C22H28N4O5S/c1-17-4-7-20(8-5-17)32(29,30)25-12-10-24(11-13-25)18-6-9-22(26(27)28)21(15-18)23-16-19-3-2-14-31-19/h4-9,15,19,23H,2-3,10-14,16H2,1H3/t19-/m1/s1