N-[[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]quinoline-8-sulfonamide

Systemtic Name: N-[[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]quinoline-8-sulfonamide Openeye Name: N-[[(3S)-1-[(1-isopropylpyrazol-4-yl)methyl]-3-piperidyl]methyl]quinoline-8-sulfonamide CAS Name: N-[[(3S)-1-[(1-propan-2-yl-4-pyrazolyl)methyl]-3-piperidinyl]methyl]-8-quinolinesulfonamide IUPAC Name: N-[[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]quinoline-8-sulfonamide Traditional Name: N-[[(3S)-1-[(1-isopropylpyrazol-4-yl)methyl]-3-piperidyl]methyl]quinoline-8-sulfonamide Formula: C22H29N5O2S MolecularWeight: 427.56296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)CN2CCCC(C2)CNS(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC(C)N1C=C(C=N1)CN2CCC[C@@H](C2)CNS(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C22H29N5O2S/c1-17(2)27-16-19(12-24-27)15-26-11-5-6-18(14-26)13-25-30(28,29)21-9-3-7-20-8-4-10-23-22(20)21/h3-4,7-10,12,16-18,25H,5-6,11,13-15H2,1-2H3/t18-/m1/s1