methyl 4-[2-[(4-chlorophenyl)sulfonyl-phenethyl-amino]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[(4-chlorophenyl)sulfonyl-phenethyl-amino]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(4-chlorophenyl)sulfonyl-phenethyl-amino]acetyl]amino]benzoate CAS Name: 4-[[2-[(4-chlorophenyl)sulfonyl-phenethylamino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(4-chlorophenyl)sulfonyl-phenethylamino]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4-chlorophenyl)sulfonyl-phenethyl-amino]acetyl]amino]benzoic acid methyl ester Formula: C24H23ClN2O5S MolecularWeight: 486.96782

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CN(CCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CN(CCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H23ClN2O5S/c1-32-24(29)19-7-11-21(12-8-19)26-23(28)17-27(16-15-18-5-3-2-4-6-18)33(30,31)22-13-9-20(25)10-14-22/h2-14H,15-17H2,1H3,(H,26,28)