N-[4-methylsulfanyl-1-oxidanylidene-1-[(3-piperidin-1-ylsulfonylphenyl)amino]butan-2-yl]furan-2-carboxamide

Systemtic Name: N-[4-methylsulfanyl-1-oxidanylidene-1-[(3-piperidin-1-ylsulfonylphenyl)amino]butan-2-yl]furan-2-carboxamide Openeye Name: N-[3-methylsulfanyl-1-[[3-(1-piperidylsulfonyl)phenyl]carbamoyl]propyl]furan-2-carboxamide CAS Name: N-[4-(methylthio)-1-oxo-1-[3-(1-piperidinylsulfonyl)anilino]butan-2-yl]-2-furancarboxamide IUPAC Name: N-[4-methylsulfanyl-1-oxo-1-(3-piperidin-1-ylsulfonylanilino)butan-2-yl]furan-2-carboxamide Traditional Name: N-[3-(methylthio)-1-[(3-piperidinosulfonylphenyl)carbamoyl]propyl]-2-furamide Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC=CO3

Isomeric SMILES

CSCCC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C21H27N3O5S2/c1-30-14-10-18(23-21(26)19-9-6-13-29-19)20(25)22-16-7-5-8-17(15-16)31(27,28)24-11-3-2-4-12-24/h5-9,13,15,18H,2-4,10-12,14H2,1H3,(H,22,25)(H,23,26)