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

Systemtic Name: 2-[2-[(3-bromophenyl)-(4-methylphenyl)sulfonyl-amino]ethanoylamino]-N-butan-2-yl-benzamide Openeye Name: 2-[[2-[3-bromo-N-(p-tolylsulfonyl)anilino]acetyl]amino]-N-sec-butyl-benzamide CAS Name: 2-[[2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]amino]-N-butan-2-ylbenzamide IUPAC Name: 2-[[2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-butan-2-ylbenzamide Traditional Name: 2-[[2-(3-bromo-N-tosyl-anilino)acetyl]amino]-N-sec-butyl-benzamide Formula: C26H28BrN3O4S MolecularWeight: 558.48722

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC(=CC=C2)Br)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC(C)NC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC(=CC=C2)Br)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C26H28BrN3O4S/c1-4-19(3)28-26(32)23-10-5-6-11-24(23)29-25(31)17-30(21-9-7-8-20(27)16-21)35(33,34)22-14-12-18(2)13-15-22/h5-16,19H,4,17H2,1-3H3,(H,28,32)(H,29,31)