ethyl 4-[2-[(4-ethoxy-3-methyl-phenyl)sulfonyl-methyl-amino]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[(4-ethoxy-3-methyl-phenyl)sulfonyl-methyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(4-ethoxy-3-methyl-phenyl)sulfonyl-methyl-amino]acetyl]amino]benzoate CAS Name: 4-[[2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4-ethoxy-3-methyl-phenyl)sulfonyl-methyl-amino]acetyl]amino]benzoic acid ethyl ester Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=CC=C(C=C2)C(=O)OCC)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=CC=C(C=C2)C(=O)OCC)C

InChI

InChI=1S/C21H26N2O6S/c1-5-28-19-12-11-18(13-15(19)3)30(26,27)23(4)14-20(24)22-17-9-7-16(8-10-17)21(25)29-6-2/h7-13H,5-6,14H2,1-4H3,(H,22,24)