4-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butanamide

Systemtic Name: 4-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butanamide Openeye Name: 4-(5-chloro-2-methyl-N-methylsulfonyl-anilino)-N-[2-(2-furylmethylsulfanyl)ethyl]butanamide CAS Name: 4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[2-(2-furanylmethylthio)ethyl]butanamide IUPAC Name: 4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butanamide Traditional Name: 4-(5-chloro-N-mesyl-2-methyl-anilino)-N-[2-(2-furfurylthio)ethyl]butyramide Formula: C19H25ClN2O4S2 MolecularWeight: 444.9958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N(CCCC(=O)NCCSCC2=CC=CO2)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N(CCCC(=O)NCCSCC2=CC=CO2)S(=O)(=O)C

InChI

InChI=1S/C19H25ClN2O4S2/c1-15-7-8-16(20)13-18(15)22(28(2,24)25)10-3-6-19(23)21-9-12-27-14-17-5-4-11-26-17/h4-5,7-8,11,13H,3,6,9-10,12,14H2,1-2H3,(H,21,23)