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

Systemtic Name: 2-[2-[(4-bromanyl-3-methyl-phenyl)-methylsulfonyl-amino]ethanoylamino]-N-butyl-benzamide Openeye Name: 2-[[2-(4-bromo-3-methyl-N-methylsulfonyl-anilino)acetyl]amino]-N-butyl-benzamide CAS Name: 2-[[2-(4-bromo-3-methyl-N-methylsulfonylanilino)-1-oxoethyl]amino]-N-butylbenzamide IUPAC Name: 2-[[2-(4-bromo-3-methyl-N-methylsulfonylanilino)acetyl]amino]-N-butylbenzamide Traditional Name: 2-[[2-(4-bromo-N-mesyl-3-methyl-anilino)acetyl]amino]-N-butyl-benzamide Formula: C21H26BrN3O4S MolecularWeight: 496.41784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26BrN3O4S/c1-4-5-12-23-21(27)17-8-6-7-9-19(17)24-20(26)14-25(30(3,28)29)16-10-11-18(22)15(2)13-16/h6-11,13H,4-5,12,14H2,1-3H3,(H,23,27)(H,24,26)