4-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butanamide

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butanamide Openeye Name: 4-(3-chloro-4-methoxy-N-methylsulfonyl-anilino)-N-[2-(2-furylmethylsulfanyl)ethyl]butanamide CAS Name: 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[2-(2-furanylmethylthio)ethyl]butanamide IUPAC Name: 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butanamide Traditional Name: 4-(3-chloro-N-mesyl-4-methoxy-anilino)-N-[2-(2-furfurylthio)ethyl]butyramide Formula: C19H25ClN2O5S2 MolecularWeight: 460.9952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(CCCC(=O)NCCSCC2=CC=CO2)S(=O)(=O)C)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N(CCCC(=O)NCCSCC2=CC=CO2)S(=O)(=O)C)Cl

InChI

InChI=1S/C19H25ClN2O5S2/c1-26-18-8-7-15(13-17(18)20)22(29(2,24)25)10-3-6-19(23)21-9-12-28-14-16-5-4-11-27-16/h4-5,7-8,11,13H,3,6,9-10,12,14H2,1-2H3,(H,21,23)