N-(furan-2-ylmethyl)-5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-aniline

Systemtic Name: N-(furan-2-ylmethyl)-5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-aniline Openeye Name: N-(2-furylmethyl)-5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-aniline CAS Name: N-(2-furanylmethyl)-5-(4-methylsulfonyl-1-piperazinyl)-2-nitroaniline IUPAC Name: N-(furan-2-ylmethyl)-5-(4-methylsulfonylpiperazin-1-yl)-2-nitroaniline Traditional Name: 2-furfuryl-[5-(4-mesylpiperazino)-2-nitro-phenyl]amine Formula: C16H20N4O5S MolecularWeight: 380.4188

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CO3

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CO3

InChI

InChI=1S/C16H20N4O5S/c1-26(23,24)19-8-6-18(7-9-19)13-4-5-16(20(21)22)15(11-13)17-12-14-3-2-10-25-14/h2-5,10-11,17H,6-9,12H2,1H3