methyl 4-[[[2-methyl-3-(methylsulfonylamino)phenyl]-(phenylmethyl)amino]methyl]benzoate

Systemtic Name: methyl 4-[[[2-methyl-3-(methylsulfonylamino)phenyl]-(phenylmethyl)amino]methyl]benzoate Openeye Name: methyl 4-[[N-benzyl-3-(methanesulfonamido)-2-methyl-anilino]methyl]benzoate CAS Name: 4-[[3-(methanesulfonamido)-2-methyl-N-(phenylmethyl)anilino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[N-benzyl-3-(methanesulfonamido)-2-methylanilino]methyl]benzoate Traditional Name: 4-[[N-benzyl-3-(methanesulfonamido)-2-methyl-anilino]methyl]benzoic acid methyl ester Formula: C24H26N2O4S MolecularWeight: 438.53924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1N(CC2=CC=CC=C2)CC3=CC=C(C=C3)C(=O)OC)NS(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC=C1N(CC2=CC=CC=C2)CC3=CC=C(C=C3)C(=O)OC)NS(=O)(=O)C

InChI

InChI=1S/C24H26N2O4S/c1-18-22(25-31(3,28)29)10-7-11-23(18)26(16-19-8-5-4-6-9-19)17-20-12-14-21(15-13-20)24(27)30-2/h4-15,25H,16-17H2,1-3H3