2-[2-[(3-bromophenyl)-(4-methylphenyl)sulfonyl-amino]ethanoylamino]-N-phenethyl-benzamide

Systemtic Name: 2-[2-[(3-bromophenyl)-(4-methylphenyl)sulfonyl-amino]ethanoylamino]-N-phenethyl-benzamide Openeye Name: 2-[[2-[3-bromo-N-(p-tolylsulfonyl)anilino]acetyl]amino]-N-phenethyl-benzamide CAS Name: 2-[[2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]amino]-N-phenethylbenzamide IUPAC Name: 2-[[2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-phenethylbenzamide Traditional Name: 2-[[2-(3-bromo-N-tosyl-anilino)acetyl]amino]-N-phenethyl-benzamide Formula: C30H28BrN3O4S MolecularWeight: 606.53002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3)C4=CC(=CC=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C30H28BrN3O4S/c1-22-14-16-26(17-15-22)39(37,38)34(25-11-7-10-24(31)20-25)21-29(35)33-28-13-6-5-12-27(28)30(36)32-19-18-23-8-3-2-4-9-23/h2-17,20H,18-19,21H2,1H3,(H,32,36)(H,33,35)