methyl 4-[[methyl-(3-methylsulfonylphenyl)carbonyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[methyl-(3-methylsulfonylphenyl)carbonyl-amino]methyl]benzoate Openeye Name: methyl 4-[[methyl-(3-methylsulfonylbenzoyl)amino]methyl]benzoate CAS Name: 4-[[methyl-[(3-methylsulfonylphenyl)-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[methyl-(3-methylsulfonylbenzoyl)amino]methyl]benzoate Traditional Name: 4-[[(3-mesylbenzoyl)-methyl-amino]methyl]benzoic acid methyl ester Formula: C18H19NO5S MolecularWeight: 361.41216

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)C2=CC(=CC=C2)S(=O)(=O)C

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)C2=CC(=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C18H19NO5S/c1-19(12-13-7-9-14(10-8-13)18(21)24-2)17(20)15-5-4-6-16(11-15)25(3,22)23/h4-11H,12H2,1-3H3