methyl 3-[2-[(3,4-dimethoxyphenyl)sulfonyl-phenyl-amino]ethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[(3,4-dimethoxyphenyl)sulfonyl-phenyl-amino]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C25H26N2O7S MolecularWeight: 498.54814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C25H26N2O7S/c1-17-10-11-18(25(29)34-4)14-21(17)26-24(28)16-27(19-8-6-5-7-9-19)35(30,31)20-12-13-22(32-2)23(15-20)33-3/h5-15H,16H2,1-4H3,(H,26,28)