methyl 4-[[(2-cyanophenyl)sulfonyl-methyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[(2-cyanophenyl)sulfonyl-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[(2-cyanophenyl)sulfonyl-methyl-amino]methyl]benzoate CAS Name: 4-[[(2-cyanophenyl)sulfonyl-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2-cyanophenyl)sulfonyl-methylamino]methyl]benzoate Traditional Name: 4-[[(2-cyanophenyl)sulfonyl-methyl-amino]methyl]benzoic acid methyl ester Formula: C17H16N2O4S MolecularWeight: 344.38494

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)OC)S(=O)(=O)C2=CC=CC=C2C#N

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)OC)S(=O)(=O)C2=CC=CC=C2C#N

InChI

InChI=1S/C17H16N2O4S/c1-19(12-13-7-9-14(10-8-13)17(20)23-2)24(21,22)16-6-4-3-5-15(16)11-18/h3-10H,12H2,1-2H3