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

Systemtic Name: 2-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]propanamide Openeye Name: 2-(3-chloro-4-methoxy-N-methylsulfonyl-anilino)-N-[2-(2-furylmethylsulfanyl)ethyl]propanamide CAS Name: 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[2-(2-furanylmethylthio)ethyl]propanamide IUPAC Name: 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]propanamide Traditional Name: 2-(3-chloro-N-mesyl-4-methoxy-anilino)-N-[2-(2-furfurylthio)ethyl]propionamide Formula: C18H23ClN2O5S2 MolecularWeight: 446.96862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCSCC1=CC=CO1)N(C2=CC(=C(C=C2)OC)Cl)S(=O)(=O)C

Isomeric SMILES

CC(C(=O)NCCSCC1=CC=CO1)N(C2=CC(=C(C=C2)OC)Cl)S(=O)(=O)C

InChI

InChI=1S/C18H23ClN2O5S2/c1-13(18(22)20-8-10-27-12-15-5-4-9-26-15)21(28(3,23)24)14-6-7-17(25-2)16(19)11-14/h4-7,9,11,13H,8,10,12H2,1-3H3,(H,20,22)