methyl 2-[2-[(4-bromophenyl)sulfonyl-cyclohexyl-amino]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[(4-bromophenyl)sulfonyl-cyclohexyl-amino]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[(4-bromophenyl)sulfonyl-cyclohexyl-amino]acetyl]amino]benzoate CAS Name: 2-[[2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetyl]amino]benzoate Traditional Name: 2-[[2-[brosyl(cyclohexyl)amino]acetyl]amino]benzoic acid methyl ester Formula: C22H25BrN2O5S MolecularWeight: 509.4133

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CN(C2CCCCC2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CN(C2CCCCC2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H25BrN2O5S/c1-30-22(27)19-9-5-6-10-20(19)24-21(26)15-25(17-7-3-2-4-8-17)31(28,29)18-13-11-16(23)12-14-18/h5-6,9-14,17H,2-4,7-8,15H2,1H3,(H,24,26)