2-[2-[(4-bromanyl-3-methyl-phenyl)-methylsulfonyl-amino]ethanoylamino]-N-propyl-benzamide

Systemtic Name: 2-[2-[(4-bromanyl-3-methyl-phenyl)-methylsulfonyl-amino]ethanoylamino]-N-propyl-benzamide Openeye Name: 2-[[2-(4-bromo-3-methyl-N-methylsulfonyl-anilino)acetyl]amino]-N-propyl-benzamide CAS Name: 2-[[2-(4-bromo-3-methyl-N-methylsulfonylanilino)-1-oxoethyl]amino]-N-propylbenzamide IUPAC Name: 2-[[2-(4-bromo-3-methyl-N-methylsulfonylanilino)acetyl]amino]-N-propylbenzamide Traditional Name: 2-[[2-(4-bromo-N-mesyl-3-methyl-anilino)acetyl]amino]-N-propyl-benzamide Formula: C20H24BrN3O4S MolecularWeight: 482.39126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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