2-[2-[(4-bromanyl-3-methyl-phenyl)-methylsulfonyl-amino]ethanoylamino]-N-(1-phenylethyl)benzamide

Systemtic Name: 2-[2-[(4-bromanyl-3-methyl-phenyl)-methylsulfonyl-amino]ethanoylamino]-N-(1-phenylethyl)benzamide Openeye Name: 2-[[2-(4-bromo-3-methyl-N-methylsulfonyl-anilino)acetyl]amino]-N-(1-phenylethyl)benzamide CAS Name: 2-[[2-(4-bromo-3-methyl-N-methylsulfonylanilino)-1-oxoethyl]amino]-N-(1-phenylethyl)benzamide IUPAC Name: 2-[[2-(4-bromo-3-methyl-N-methylsulfonylanilino)acetyl]amino]-N-(1-phenylethyl)benzamide Traditional Name: 2-[[2-(4-bromo-N-mesyl-3-methyl-anilino)acetyl]amino]-N-(1-phenylethyl)benzamide Formula: C25H26BrN3O4S MolecularWeight: 544.46064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CC(=O)NC2=CC=CC=C2C(=O)NC(C)C3=CC=CC=C3)S(=O)(=O)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N(CC(=O)NC2=CC=CC=C2C(=O)NC(C)C3=CC=CC=C3)S(=O)(=O)C)Br

InChI

InChI=1S/C25H26BrN3O4S/c1-17-15-20(13-14-22(17)26)29(34(3,32)33)16-24(30)28-23-12-8-7-11-21(23)25(31)27-18(2)19-9-5-4-6-10-19/h4-15,18H,16H2,1-3H3,(H,27,31)(H,28,30)