ethyl 4-[2-[(4-chloranyl-2-methyl-phenyl)-(phenylsulfonyl)amino]ethanoylamino]-3-methyl-benzoate

Systemtic Name: ethyl 4-[2-[(4-chloranyl-2-methyl-phenyl)-(phenylsulfonyl)amino]ethanoylamino]-3-methyl-benzoate Openeye Name: ethyl 4-[[2-[N-(benzenesulfonyl)-4-chloro-2-methyl-anilino]acetyl]amino]-3-methyl-benzoate CAS Name: 4-[[2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-1-oxoethyl]amino]-3-methylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]acetyl]amino]-3-methylbenzoate Traditional Name: 4-[[2-(N-besyl-4-chloro-2-methyl-anilino)acetyl]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)CN(C2=C(C=C(C=C2)Cl)C)S(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

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

InChI

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