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

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

Isomeric SMILES

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

InChI

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