4-(phenylmethyl)-1-(1-propan-2-yl-3-thiophen-2-yl-pyrazol-4-yl)sulfonyl-piperidine

Systemtic Name: 4-(phenylmethyl)-1-(1-propan-2-yl-3-thiophen-2-yl-pyrazol-4-yl)sulfonyl-piperidine Openeye Name: 4-benzyl-1-[1-isopropyl-3-(2-thienyl)pyrazol-4-yl]sulfonyl-piperidine CAS Name: 4-(phenylmethyl)-1-[(1-propan-2-yl-3-thiophen-2-yl-4-pyrazolyl)sulfonyl]piperidine IUPAC Name: 4-benzyl-1-(1-propan-2-yl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperidine Traditional Name: 4-benzyl-1-[1-isopropyl-3-(2-thienyl)pyrazol-4-yl]sulfonyl-piperidine Formula: C22H27N3O2S2 MolecularWeight: 429.59868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C(=N1)C2=CC=CS2)S(=O)(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)N1C=C(C(=N1)C2=CC=CS2)S(=O)(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H27N3O2S2/c1-17(2)25-16-21(22(23-25)20-9-6-14-28-20)29(26,27)24-12-10-19(11-13-24)15-18-7-4-3-5-8-18/h3-9,14,16-17,19H,10-13,15H2,1-2H3