3-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonyl-pyrazol-1-yl]carbonylchromen-2-one

Systemtic Name: 3-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonyl-pyrazol-1-yl]carbonylchromen-2-one Openeye Name: 3-[3,5-dimethyl-4-[(4-methyl-1-piperidyl)sulfonyl]pyrazole-1-carbonyl]chromen-2-one CAS Name: 3-[[3,5-dimethyl-4-[(4-methyl-1-piperidinyl)sulfonyl]-1-pyrazolyl]-oxomethyl]-1-benzopyran-2-one IUPAC Name: 3-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazole-1-carbonyl]chromen-2-one Traditional Name: 3-[3,5-dimethyl-4-(4-methylpiperidino)sulfonyl-pyrazole-1-carbonyl]coumarin Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=C(N(N=C2C)C(=O)C3=CC4=CC=CC=C4OC3=O)C

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=C(N(N=C2C)C(=O)C3=CC4=CC=CC=C4OC3=O)C

InChI

InChI=1S/C21H23N3O5S/c1-13-8-10-23(11-9-13)30(27,28)19-14(2)22-24(15(19)3)20(25)17-12-16-6-4-5-7-18(16)29-21(17)26/h4-7,12-13H,8-11H2,1-3H3