N-(furan-2-ylmethyl)-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-aniline

Systemtic Name: N-(furan-2-ylmethyl)-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-aniline Openeye Name: N-(2-furylmethyl)-2-nitro-5-[4-(p-tolylsulfonyl)piperazin-1-yl]aniline CAS Name: N-(2-furanylmethyl)-5-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-nitroaniline IUPAC Name: N-(furan-2-ylmethyl)-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline Traditional Name: 2-furfuryl-[2-nitro-5-(4-tosylpiperazino)phenyl]amine Formula: C22H24N4O5S MolecularWeight: 456.51476

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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-])NCC4=CC=CO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CC=CO4

InChI

InChI=1S/C22H24N4O5S/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/h2-9,14-15,23H,10-13,16H2,1H3