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

Systemtic Name: ethyl 4-[[4-[[(3,4-dimethylphenyl)-methylsulfonyl-amino]methyl]phenyl]carbonylamino]-3-methyl-benzoate Openeye Name: ethyl 4-[[4-[(3,4-dimethyl-N-methylsulfonyl-anilino)methyl]benzoyl]amino]-3-methyl-benzoate CAS Name: 4-[[[4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]phenyl]-oxomethyl]amino]-3-methylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzoyl]amino]-3-methylbenzoate Traditional Name: 4-[[4-[(N-mesyl-3,4-dimethyl-anilino)methyl]benzoyl]amino]-3-methyl-benzoic acid ethyl ester Formula: C27H30N2O5S MolecularWeight: 494.6025

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)CN(C3=CC(=C(C=C3)C)C)S(=O)(=O)C)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)CN(C3=CC(=C(C=C3)C)C)S(=O)(=O)C)C

InChI

InChI=1S/C27H30N2O5S/c1-6-34-27(31)23-12-14-25(20(4)15-23)28-26(30)22-10-8-21(9-11-22)17-29(35(5,32)33)24-13-7-18(2)19(3)16-24/h7-16H,6,17H2,1-5H3,(H,28,30)