5-(4-cyano-1-methyl-5-methylsulfanyl-pyrazol-3-yl)-N-[3-[(3S)-1-methylpyrrolidin-3-yl]oxy-4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide

Systemtic Name: 5-(4-cyano-1-methyl-5-methylsulfanyl-pyrazol-3-yl)-N-[3-[(3S)-1-methylpyrrolidin-3-yl]oxy-4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide Openeye Name: 5-(4-cyano-1-methyl-5-methylsulfanyl-pyrazol-3-yl)-N-[3-[(3S)-1-methylpyrrolidin-3-yl]oxy-4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide CAS Name: 5-[4-cyano-1-methyl-5-(methylthio)-3-pyrazolyl]-N-[3-[[(3S)-1-methyl-3-pyrrolidinyl]oxy]-4-(trifluoromethyl)phenyl]-2-thiophenesulfonamide IUPAC Name: 5-(4-cyano-1-methyl-5-methylsulfanylpyrazol-3-yl)-N-[3-[(3S)-1-methylpyrrolidin-3-yl]oxy-4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide Traditional Name: 5-[4-cyano-1-methyl-5-(methylthio)pyrazol-3-yl]-N-[3-[(3S)-1-methylpyrrolidin-3-yl]oxy-4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide Formula: C22H22F3N5O3S3 MolecularWeight: 557.63199

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C1)OC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(S3)C4=NN(C(=C4C#N)SC)C)C(F)(F)F

Isomeric SMILES

CN1CC[C@@H](C1)OC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(S3)C4=NN(C(=C4C#N)SC)C)C(F)(F)F

InChI

InChI=1S/C22H22F3N5O3S3/c1-29-9-8-14(12-29)33-17-10-13(4-5-16(17)22(23,24)25)28-36(31,32)19-7-6-18(35-19)20-15(11-26)21(34-3)30(2)27-20/h4-7,10,14,28H,8-9,12H2,1-3H3/t14-/m0/s1