N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-5-nitro-furan-2-carboxamide

Systemtic Name: N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-5-nitro-furan-2-carboxamide Openeye Name: 5-nitro-N-[2-[1-(p-tolylsulfonyl)-2-piperidyl]ethyl]furan-2-carboxamide CAS Name: N-[2-[1-(4-methylphenyl)sulfonyl-2-piperidinyl]ethyl]-5-nitro-2-furancarboxamide IUPAC Name: N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-5-nitrofuran-2-carboxamide Traditional Name: 5-nitro-N-[2-(1-tosyl-2-piperidyl)ethyl]-2-furamide Formula: C19H23N3O6S MolecularWeight: 421.46742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2CCNC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2CCNC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O6S/c1-14-5-7-16(8-6-14)29(26,27)21-13-3-2-4-15(21)11-12-20-19(23)17-9-10-18(28-17)22(24)25/h5-10,15H,2-4,11-13H2,1H3,(H,20,23)