N-methyl-N-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]furan-2-carboxamide

Systemtic Name: N-methyl-N-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]furan-2-carboxamide Openeye Name: N-methyl-N-[2-oxo-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethyl]furan-2-carboxamide CAS Name: N-methyl-N-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]-2-furancarboxamide IUPAC Name: N-methyl-N-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]furan-2-carboxamide Traditional Name: N-[2-keto-2-(4-tosyl-1,4-diazepan-1-yl)ethyl]-N-methyl-2-furamide Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CN(C)C(=O)C3=CC=CO3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CN(C)C(=O)C3=CC=CO3

InChI

InChI=1S/C20H25N3O5S/c1-16-6-8-17(9-7-16)29(26,27)23-11-4-10-22(12-13-23)19(24)15-21(2)20(25)18-5-3-14-28-18/h3,5-9,14H,4,10-13,15H2,1-2H3