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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26BrN3O4S/c1-14(2)12-23-21(27)17-7-5-6-8-19(17)24-20(26)13-25(30(4,28)29)16-9-10-18(22)15(3)11-16/h5-11,14H,12-13H2,1-4H3,(H,23,27)(H,24,26)