N-butan-2-yl-2-[2-[(4-methylphenyl)-methylsulfonyl-amino]ethanoylamino]benzamide

Systemtic Name: N-butan-2-yl-2-[2-[(4-methylphenyl)-methylsulfonyl-amino]ethanoylamino]benzamide Openeye Name: 2-[[2-(4-methyl-N-methylsulfonyl-anilino)acetyl]amino]-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-2-[[2-(4-methyl-N-methylsulfonylanilino)-1-oxoethyl]amino]benzamide IUPAC Name: N-butan-2-yl-2-[[2-(4-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide Traditional Name: 2-[[2-(N-mesyl-4-methyl-anilino)acetyl]amino]-N-sec-butyl-benzamide Formula: C21H27N3O4S MolecularWeight: 417.52178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC=C(C=C2)C)S(=O)(=O)C

Isomeric SMILES

CCC(C)NC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC=C(C=C2)C)S(=O)(=O)C

InChI

InChI=1S/C21H27N3O4S/c1-5-16(3)22-21(26)18-8-6-7-9-19(18)23-20(25)14-24(29(4,27)28)17-12-10-15(2)11-13-17/h6-13,16H,5,14H2,1-4H3,(H,22,26)(H,23,25)