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

Systemtic Name: 2-[2-[(4-bromanyl-3-methyl-phenyl)-methylsulfonyl-amino]ethanoylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide Openeye Name: 2-[[2-(4-bromo-3-methyl-N-methylsulfonyl-anilino)acetyl]amino]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide CAS Name: 2-[[2-(4-bromo-3-methyl-N-methylsulfonylanilino)-1-oxoethyl]amino]-N-[[(2R)-2-oxolanyl]methyl]benzamide IUPAC Name: 2-[[2-(4-bromo-3-methyl-N-methylsulfonylanilino)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide Traditional Name: 2-[[2-(4-bromo-N-mesyl-3-methyl-anilino)acetyl]amino]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide Formula: C22H26BrN3O5S MolecularWeight: 524.42794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CC(=O)NC2=CC=CC=C2C(=O)NCC3CCCO3)S(=O)(=O)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N(CC(=O)NC2=CC=CC=C2C(=O)NC[C@H]3CCCO3)S(=O)(=O)C)Br

InChI

InChI=1S/C22H26BrN3O5S/c1-15-12-16(9-10-19(15)23)26(32(2,29)30)14-21(27)25-20-8-4-3-7-18(20)22(28)24-13-17-6-5-11-31-17/h3-4,7-10,12,17H,5-6,11,13-14H2,1-2H3,(H,24,28)(H,25,27)/t17-/m1/s1