N-[[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]quinoline-8-sulfonamide

Systemtic Name: N-[[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]quinoline-8-sulfonamide Openeye Name: N-[[1-[(1-methylpyrazol-4-yl)methyl]-3-piperidyl]methyl]quinoline-8-sulfonamide CAS Name: N-[[1-[(1-methyl-4-pyrazolyl)methyl]-3-piperidinyl]methyl]-8-quinolinesulfonamide IUPAC Name: N-[[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]quinoline-8-sulfonamide Traditional Name: N-[[1-[(1-methylpyrazol-4-yl)methyl]-3-piperidyl]methyl]quinoline-8-sulfonamide Formula: C20H25N5O2S MolecularWeight: 399.5098

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CN2CCCC(C2)CNS(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CN1C=C(C=N1)CN2CCCC(C2)CNS(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C20H25N5O2S/c1-24-13-17(11-22-24)15-25-10-4-5-16(14-25)12-23-28(26,27)19-8-2-6-18-7-3-9-21-20(18)19/h2-3,6-9,11,13,16,23H,4-5,10,12,14-15H2,1H3