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

Systemtic Name: butyl 4-[2-[(4-bromophenyl)sulfonyl-methyl-amino]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[(4-bromophenyl)sulfonyl-methyl-amino]acetyl]amino]benzoate CAS Name: 4-[[2-[(4-bromophenyl)sulfonyl-methylamino]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]benzoate Traditional Name: 4-[[2-[brosyl(methyl)amino]acetyl]amino]benzoic acid butyl ester Formula: C20H23BrN2O5S MolecularWeight: 483.37602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C20H23BrN2O5S/c1-3-4-13-28-20(25)15-5-9-17(10-6-15)22-19(24)14-23(2)29(26,27)18-11-7-16(21)8-12-18/h5-12H,3-4,13-14H2,1-2H3,(H,22,24)