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

Systemtic Name: 2-[4-[[2,5-bis(chloranyl)phenyl]-methylsulfonyl-amino]butanoylamino]-N-prop-2-enyl-benzamide Openeye Name: N-allyl-2-[4-(2,5-dichloro-N-methylsulfonyl-anilino)butanoylamino]benzamide CAS Name: 2-[[4-(2,5-dichloro-N-methylsulfonylanilino)-1-oxobutyl]amino]-N-prop-2-enylbenzamide IUPAC Name: 2-[4-(2,5-dichloro-N-methylsulfonylanilino)butanoylamino]-N-prop-2-enylbenzamide Traditional Name: N-allyl-2-[4-(2,5-dichloro-N-mesyl-anilino)butanoylamino]benzamide Formula: C21H23Cl2N3O4S MolecularWeight: 484.39602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23Cl2N3O4S/c1-3-12-24-21(28)16-7-4-5-8-18(16)25-20(27)9-6-13-26(31(2,29)30)19-14-15(22)10-11-17(19)23/h3-5,7-8,10-11,14H,1,6,9,12-13H2,2H3,(H,24,28)(H,25,27)