methyl 3-[2-[(3-chloranyl-4-methoxy-phenyl)-(4-methylphenyl)sulfonyl-amino]ethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[(3-chloranyl-4-methoxy-phenyl)-(4-methylphenyl)sulfonyl-amino]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[3-chloro-4-methoxy-N-(p-tolylsulfonyl)anilino]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-(3-chloro-4-methoxy-N-tosyl-anilino)acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C25H25ClN2O6S MolecularWeight: 516.9938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=C(C=CC(=C2)C(=O)OC)C)C3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=C(C=CC(=C2)C(=O)OC)C)C3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C25H25ClN2O6S/c1-16-5-10-20(11-6-16)35(31,32)28(19-9-12-23(33-3)21(26)14-19)15-24(29)27-22-13-18(25(30)34-4)8-7-17(22)2/h5-14H,15H2,1-4H3,(H,27,29)