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

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

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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(=CC=C3)Cl)S(=O)(=O)C)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=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)20-12-13-23(17(2)14-20)27-24(29)19-10-8-18(9-11-19)16-28(34(3,31)32)22-7-5-6-21(26)15-22/h5-15H,4,16H2,1-3H3,(H,27,29)