3-(3,5-dimethyl-4-piperidin-1-ylsulfonyl-pyrazol-1-yl)carbonylchromen-2-one

Systemtic Name: 3-(3,5-dimethyl-4-piperidin-1-ylsulfonyl-pyrazol-1-yl)carbonylchromen-2-one Openeye Name: 3-[3,5-dimethyl-4-(1-piperidylsulfonyl)pyrazole-1-carbonyl]chromen-2-one CAS Name: 3-[[3,5-dimethyl-4-(1-piperidinylsulfonyl)-1-pyrazolyl]-oxomethyl]-1-benzopyran-2-one IUPAC Name: 3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazole-1-carbonyl)chromen-2-one Traditional Name: 3-(3,5-dimethyl-4-piperidinosulfonyl-pyrazole-1-carbonyl)coumarin Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C2=CC3=CC=CC=C3OC2=O)C)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C(=NN1C(=O)C2=CC3=CC=CC=C3OC2=O)C)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C20H21N3O5S/c1-13-18(29(26,27)22-10-6-3-7-11-22)14(2)23(21-13)19(24)16-12-15-8-4-5-9-17(15)28-20(16)25/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3