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

Systemtic Name: 1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-3-(4-methylphenyl)sulfonyl-propan-1-one Openeye Name: 1-[2-(3-methylisoxazol-5-yl)pyrrolidin-1-yl]-3-(p-tolylsulfonyl)propan-1-one CAS Name: 1-[2-(3-methyl-5-isoxazolyl)-1-pyrrolidinyl]-3-(4-methylphenyl)sulfonyl-1-propanone IUPAC Name: 1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-3-(4-methylphenyl)sulfonylpropan-1-one Traditional Name: 1-[2-(3-methylisoxazol-5-yl)pyrrolidino]-3-tosyl-propan-1-one Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4S/c1-13-5-7-15(8-6-13)25(22,23)11-9-18(21)20-10-3-4-16(20)17-12-14(2)19-24-17/h5-8,12,16H,3-4,9-11H2,1-2H3