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

Systemtic Name: 3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-pyrazol-1-yl)carbonylchromen-2-one Openeye Name: 3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-pyrazole-1-carbonyl)chromen-2-one CAS Name: 3-[[3,5-dimethyl-4-(1-pyrrolidinylsulfonyl)-1-pyrazolyl]-oxomethyl]-1-benzopyran-2-one IUPAC Name: 3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazole-1-carbonyl)chromen-2-one Traditional Name: 3-(3,5-dimethyl-4-pyrrolidinosulfonyl-pyrazole-1-carbonyl)coumarin Formula: C19H19N3O5S MolecularWeight: 401.43626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C2=CC3=CC=CC=C3OC2=O)C)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=C(C(=NN1C(=O)C2=CC3=CC=CC=C3OC2=O)C)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C19H19N3O5S/c1-12-17(28(25,26)21-9-5-6-10-21)13(2)22(20-12)18(23)15-11-14-7-3-4-8-16(14)27-19(15)24/h3-4,7-8,11H,5-6,9-10H2,1-2H3