2-[4-[[2,5-bis(chloranyl)phenyl]-methylsulfonyl-amino]butanoylamino]-N-phenethyl-benzamide

Systemtic Name: 2-[4-[[2,5-bis(chloranyl)phenyl]-methylsulfonyl-amino]butanoylamino]-N-phenethyl-benzamide Openeye Name: 2-[4-(2,5-dichloro-N-methylsulfonyl-anilino)butanoylamino]-N-phenethyl-benzamide CAS Name: 2-[[4-(2,5-dichloro-N-methylsulfonylanilino)-1-oxobutyl]amino]-N-phenethylbenzamide IUPAC Name: 2-[4-(2,5-dichloro-N-methylsulfonylanilino)butanoylamino]-N-phenethylbenzamide Traditional Name: 2-[4-(2,5-dichloro-N-mesyl-anilino)butanoylamino]-N-phenethyl-benzamide Formula: C26H27Cl2N3O4S MolecularWeight: 548.48128

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCC(=O)NC1=CC=CC=C1C(=O)NCCC2=CC=CC=C2)C3=C(C=CC(=C3)Cl)Cl

Isomeric SMILES

CS(=O)(=O)N(CCCC(=O)NC1=CC=CC=C1C(=O)NCCC2=CC=CC=C2)C3=C(C=CC(=C3)Cl)Cl

InChI

InChI=1S/C26H27Cl2N3O4S/c1-36(34,35)31(24-18-20(27)13-14-22(24)28)17-7-12-25(32)30-23-11-6-5-10-21(23)26(33)29-16-15-19-8-3-2-4-9-19/h2-6,8-11,13-14,18H,7,12,15-17H2,1H3,(H,29,33)(H,30,32)