N-(3-cyano-4,5-dimethyl-furan-2-yl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(3-cyano-4,5-dimethyl-furan-2-yl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(3-cyano-4,5-dimethyl-2-furyl)-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]acetamide CAS Name: N-(3-cyano-4,5-dimethyl-2-furanyl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide Traditional Name: N-(3-cyano-4,5-dimethyl-2-furyl)-2-(4-tosyl-1,4-diazepan-1-yl)acetamide Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC(=O)NC3=C(C(=C(O3)C)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC(=O)NC3=C(C(=C(O3)C)C)C#N

InChI

InChI=1S/C21H26N4O4S/c1-15-5-7-18(8-6-15)30(27,28)25-10-4-9-24(11-12-25)14-20(26)23-21-19(13-22)16(2)17(3)29-21/h5-8H,4,9-12,14H2,1-3H3,(H,23,26)