2-[2-[(3-bromophenyl)-methylsulfonyl-amino]ethanoylamino]-N-butyl-benzamide

Systemtic Name: 2-[2-[(3-bromophenyl)-methylsulfonyl-amino]ethanoylamino]-N-butyl-benzamide Openeye Name: 2-[[2-(3-bromo-N-methylsulfonyl-anilino)acetyl]amino]-N-butyl-benzamide CAS Name: 2-[[2-(3-bromo-N-methylsulfonylanilino)-1-oxoethyl]amino]-N-butylbenzamide IUPAC Name: 2-[[2-(3-bromo-N-methylsulfonylanilino)acetyl]amino]-N-butylbenzamide Traditional Name: 2-[[2-(3-bromo-N-mesyl-anilino)acetyl]amino]-N-butyl-benzamide Formula: C20H24BrN3O4S MolecularWeight: 482.39126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC(=CC=C2)Br)S(=O)(=O)C

Isomeric SMILES

CCCCNC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC(=CC=C2)Br)S(=O)(=O)C

InChI

InChI=1S/C20H24BrN3O4S/c1-3-4-12-22-20(26)17-10-5-6-11-18(17)23-19(25)14-24(29(2,27)28)16-9-7-8-15(21)13-16/h5-11,13H,3-4,12,14H2,1-2H3,(H,22,26)(H,23,25)