ethyl 3-[[4-[[(3-chlorophenyl)-methylsulfonyl-amino]methyl]phenyl]carbonylamino]-2-methyl-benzoate

Systemtic Name: ethyl 3-[[4-[[(3-chlorophenyl)-methylsulfonyl-amino]methyl]phenyl]carbonylamino]-2-methyl-benzoate Openeye Name: ethyl 3-[[4-[(3-chloro-N-methylsulfonyl-anilino)methyl]benzoyl]amino]-2-methyl-benzoate CAS Name: 3-[[[4-[(3-chloro-N-methylsulfonylanilino)methyl]phenyl]-oxomethyl]amino]-2-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-[(3-chloro-N-methylsulfonylanilino)methyl]benzoyl]amino]-2-methylbenzoate Traditional Name: 3-[[4-[(3-chloro-N-mesyl-anilino)methyl]benzoyl]amino]-2-methyl-benzoic acid ethyl ester Formula: C25H25ClN2O5S MolecularWeight: 500.9944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25ClN2O5S/c1-4-33-25(30)22-9-6-10-23(17(22)2)27-24(29)19-13-11-18(12-14-19)16-28(34(3,31)32)21-8-5-7-20(26)15-21/h5-15H,4,16H2,1-3H3,(H,27,29)