N-[2-(furan-2-yl)-2-piperidin-1-yl-ethyl]-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-[2-(furan-2-yl)-2-piperidin-1-yl-ethyl]-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[2-(2-furyl)-2-(1-piperidyl)ethyl]-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[2-(2-furanyl)-2-(1-piperidinyl)ethyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methylsulfonyl-2-nitroaniline Traditional Name: [2-(2-furyl)-2-piperidino-ethyl]-(4-mesyl-2-nitro-phenyl)amine Formula: C18H23N3O5S MolecularWeight: 393.45732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCC(C2=CC=CO2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCC(C2=CC=CO2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O5S/c1-27(24,25)14-7-8-15(16(12-14)21(22)23)19-13-17(18-6-5-11-26-18)20-9-3-2-4-10-20/h5-8,11-12,17,19H,2-4,9-10,13H2,1H3