N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-2-methyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-[[1-(2-furylmethyl)-4-piperidyl]methyl]-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-[[1-(2-furanylmethyl)-4-piperidinyl]methyl]-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-[[1-(2-furfuryl)-4-piperidyl]methyl]-2-methyl-5-nitro-benzenesulfonamide Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC2CCN(CC2)CC3=CC=CO3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC2CCN(CC2)CC3=CC=CO3

InChI

InChI=1S/C18H23N3O5S/c1-14-4-5-16(21(22)23)11-18(14)27(24,25)19-12-15-6-8-20(9-7-15)13-17-3-2-10-26-17/h2-5,10-11,15,19H,6-9,12-13H2,1H3