[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [5-(p-tolyl)isoxazol-3-yl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [5-(4-methylphenyl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [5-(p-tolyl)isoxazol-3-yl]methyl ester Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NO2)COC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NO2)COC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H22N2O5S/c1-16-4-6-17(7-5-16)21-14-19(23-29-21)15-28-22(25)18-8-10-20(11-9-18)30(26,27)24-12-2-3-13-24/h4-11,14H,2-3,12-13,15H2,1H3