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

Systemtic Name: ethyl 4-[2-[(3-chloranyl-4-methoxy-phenyl)sulfonyl-methyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(3-chloro-4-methoxy-phenyl)sulfonyl-methyl-amino]acetyl]amino]benzoate CAS Name: 4-[[2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzoate Traditional Name: 4-[[2-[(3-chloro-4-methoxy-phenyl)sulfonyl-methyl-amino]acetyl]amino]benzoic acid ethyl ester Formula: C19H21ClN2O6S MolecularWeight: 440.89784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN2O6S/c1-4-28-19(24)13-5-7-14(8-6-13)21-18(23)12-22(2)29(25,26)15-9-10-17(27-3)16(20)11-15/h5-11H,4,12H2,1-3H3,(H,21,23)