methyl 3-[[4-[[(3,4-dimethylphenyl)-methylsulfonyl-amino]methyl]phenyl]carbonylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[[4-[[(3,4-dimethylphenyl)-methylsulfonyl-amino]methyl]phenyl]carbonylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[4-[(3,4-dimethyl-N-methylsulfonyl-anilino)methyl]benzoyl]amino]-4-methyl-benzoate CAS Name: 3-[[[4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]phenyl]-oxomethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzoyl]amino]-4-methylbenzoate Traditional Name: 3-[[4-[(N-mesyl-3,4-dimethyl-anilino)methyl]benzoyl]amino]-4-methyl-benzoic acid methyl ester Formula: C26H28N2O5S MolecularWeight: 480.57592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(CC2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)C)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(CC2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)C)S(=O)(=O)C)C

InChI

InChI=1S/C26H28N2O5S/c1-17-7-13-23(14-19(17)3)28(34(5,31)32)16-20-8-11-21(12-9-20)25(29)27-24-15-22(26(30)33-4)10-6-18(24)2/h6-15H,16H2,1-5H3,(H,27,29)