[1-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonylpiperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone

Systemtic Name: [1-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonylpiperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone Openeye Name: [1-(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonyl-3-piperidyl]-(3-isopropoxyphenyl)methanone CAS Name: [1-[(5-chloro-1,3-dimethyl-4-pyrazolyl)sulfonyl]-3-piperidinyl]-(3-propan-2-yloxyphenyl)methanone IUPAC Name: [1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone Traditional Name: [1-(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonyl-3-piperidyl]-(3-isopropoxyphenyl)methanone Formula: C20H26ClN3O4S MolecularWeight: 439.95614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1S(=O)(=O)N2CCCC(C2)C(=O)C3=CC(=CC=C3)OC(C)C)Cl)C

Isomeric SMILES

CC1=NN(C(=C1S(=O)(=O)N2CCCC(C2)C(=O)C3=CC(=CC=C3)OC(C)C)Cl)C

InChI

InChI=1S/C20H26ClN3O4S/c1-13(2)28-17-9-5-7-15(11-17)18(25)16-8-6-10-24(12-16)29(26,27)19-14(3)22-23(4)20(19)21/h5,7,9,11,13,16H,6,8,10,12H2,1-4H3