methyl 4-methyl-3-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]sulfonyl-benzoate

Systemtic Name: methyl 4-methyl-3-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]sulfonyl-benzoate Openeye Name: methyl 4-methyl-3-[2-(3-methylisoxazol-5-yl)pyrrolidin-1-yl]sulfonyl-benzoate CAS Name: 4-methyl-3-[[2-(3-methyl-5-isoxazolyl)-1-pyrrolidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]sulfonylbenzoate Traditional Name: 4-methyl-3-[2-(3-methylisoxazol-5-yl)pyrrolidino]sulfonyl-benzoic acid methyl ester Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)N2CCCC2C3=CC(=NO3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)N2CCCC2C3=CC(=NO3)C

InChI

InChI=1S/C17H20N2O5S/c1-11-6-7-13(17(20)23-3)10-16(11)25(21,22)19-8-4-5-14(19)15-9-12(2)18-24-15/h6-7,9-10,14H,4-5,8H2,1-3H3