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

Systemtic Name: methyl 4-[2-[(3-chloranyl-4-methoxy-phenyl)sulfonyl-phenethyl-amino]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(3-chloro-4-methoxy-phenyl)sulfonyl-phenethyl-amino]acetyl]amino]benzoate CAS Name: 4-[[2-[(3-chloro-4-methoxyphenyl)sulfonyl-phenethylamino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(3-chloro-4-methoxyphenyl)sulfonyl-phenethylamino]acetyl]amino]benzoate Traditional Name: 4-[[2-[(3-chloro-4-methoxy-phenyl)sulfonyl-phenethyl-amino]acetyl]amino]benzoic acid methyl ester Formula: C25H25ClN2O6S MolecularWeight: 516.9938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C(=O)OC)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C(=O)OC)Cl

InChI

InChI=1S/C25H25ClN2O6S/c1-33-23-13-12-21(16-22(23)26)35(31,32)28(15-14-18-6-4-3-5-7-18)17-24(29)27-20-10-8-19(9-11-20)25(30)34-2/h3-13,16H,14-15,17H2,1-2H3,(H,27,29)