methyl 5-(3,5-dimethylpyrazol-1-yl)sulfonyl-2,4-dipyrrolidin-1-yl-benzoate

Systemtic Name: methyl 5-(3,5-dimethylpyrazol-1-yl)sulfonyl-2,4-dipyrrolidin-1-yl-benzoate Openeye Name: methyl 5-(3,5-dimethylpyrazol-1-yl)sulfonyl-2,4-dipyrrolidin-1-yl-benzoate CAS Name: 5-[(3,5-dimethyl-1-pyrazolyl)sulfonyl]-2,4-bis(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 5-(3,5-dimethylpyrazol-1-yl)sulfonyl-2,4-dipyrrolidin-1-ylbenzoate Traditional Name: 5-(3,5-dimethylpyrazol-1-yl)sulfonyl-2,4-dipyrrolidino-benzoic acid methyl ester Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1S(=O)(=O)C2=C(C=C(C(=C2)C(=O)OC)N3CCCC3)N4CCCC4)C

Isomeric SMILES

CC1=CC(=NN1S(=O)(=O)C2=C(C=C(C(=C2)C(=O)OC)N3CCCC3)N4CCCC4)C

InChI

InChI=1S/C21H28N4O4S/c1-15-12-16(2)25(22-15)30(27,28)20-13-17(21(26)29-3)18(23-8-4-5-9-23)14-19(20)24-10-6-7-11-24/h12-14H,4-11H2,1-3H3