2-[4-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]butanoylamino]-N-(furan-2-ylmethyl)benzamide

Systemtic Name: 2-[4-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]butanoylamino]-N-(furan-2-ylmethyl)benzamide Openeye Name: 2-[4-(3-chloro-4-methoxy-N-methylsulfonyl-anilino)butanoylamino]-N-(2-furylmethyl)benzamide CAS Name: 2-[[4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-1-oxobutyl]amino]-N-(2-furanylmethyl)benzamide IUPAC Name: 2-[4-(3-chloro-4-methoxy-N-methylsulfonylanilino)butanoylamino]-N-(furan-2-ylmethyl)benzamide Traditional Name: 2-[4-(3-chloro-N-mesyl-4-methoxy-anilino)butanoylamino]-N-(2-furfuryl)benzamide Formula: C24H26ClN3O6S MolecularWeight: 519.99774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(CCCC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CO3)S(=O)(=O)C)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N(CCCC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CO3)S(=O)(=O)C)Cl

InChI

InChI=1S/C24H26ClN3O6S/c1-33-22-12-11-17(15-20(22)25)28(35(2,31)32)13-5-10-23(29)27-21-9-4-3-8-19(21)24(30)26-16-18-7-6-14-34-18/h3-4,6-9,11-12,14-15H,5,10,13,16H2,1-2H3,(H,26,30)(H,27,29)