methyl 3-methyl-4-[2-(3-phenylpropylsulfonyl)ethanoylamino]benzoate

Systemtic Name: methyl 3-methyl-4-[2-(3-phenylpropylsulfonyl)ethanoylamino]benzoate Openeye Name: methyl 3-methyl-4-[[2-(3-phenylpropylsulfonyl)acetyl]amino]benzoate CAS Name: 3-methyl-4-[[1-oxo-2-(3-phenylpropylsulfonyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-methyl-4-[[2-(3-phenylpropylsulfonyl)acetyl]amino]benzoate Traditional Name: 3-methyl-4-[[2-(3-phenylpropylsulfonyl)acetyl]amino]benzoic acid methyl ester Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC)NC(=O)CS(=O)(=O)CCCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC)NC(=O)CS(=O)(=O)CCCC2=CC=CC=C2

InChI

InChI=1S/C20H23NO5S/c1-15-13-17(20(23)26-2)10-11-18(15)21-19(22)14-27(24,25)12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,13H,6,9,12,14H2,1-2H3,(H,21,22)