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

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]carbonylchromen-2-one Openeye Name: 3-[4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazole-1-carbonyl]chromen-2-one CAS Name: 3-[[4-(1-azepanylsulfonyl)-3,5-dimethyl-1-pyrazolyl]-oxomethyl]-1-benzopyran-2-one IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)-3,5-dimethylpyrazole-1-carbonyl]chromen-2-one Traditional Name: 3-[4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazole-1-carbonyl]coumarin Formula: C21H23N3O5S MolecularWeight: 429.48942

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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)N4CCCCCC4

Isomeric SMILES

CC1=C(C(=NN1C(=O)C2=CC3=CC=CC=C3OC2=O)C)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C21H23N3O5S/c1-14-19(30(27,28)23-11-7-3-4-8-12-23)15(2)24(22-14)20(25)17-13-16-9-5-6-10-18(16)29-21(17)26/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3