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

Systemtic Name: methyl 4-[[(2-cyanophenyl)methylsulfonyl-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[(2-cyanophenyl)methylsulfonyl-methyl-amino]methyl]benzoate CAS Name: 4-[[(2-cyanophenyl)methylsulfonyl-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2-cyanophenyl)methylsulfonyl-methylamino]methyl]benzoate Traditional Name: 4-[[(2-cyanobenzyl)sulfonyl-methyl-amino]methyl]benzoic acid methyl ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)OC)S(=O)(=O)CC2=CC=CC=C2C#N

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)OC)S(=O)(=O)CC2=CC=CC=C2C#N

InChI

InChI=1S/C18H18N2O4S/c1-20(12-14-7-9-15(10-8-14)18(21)24-2)25(22,23)13-17-6-4-3-5-16(17)11-19/h3-10H,12-13H2,1-2H3