N-[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]sulfonylethyl]-3,5-dimethyl-benzamide

Systemtic Name: N-[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]sulfonylethyl]-3,5-dimethyl-benzamide Openeye Name: N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-3,5-dimethyl-benzamide CAS Name: N-[2-[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]sulfonyl]ethyl]-3,5-dimethylbenzamide IUPAC Name: N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-3,5-dimethylbenzamide Traditional Name: N-[2-[4-(2-furoyl)piperazino]sulfonylethyl]-3,5-dimethyl-benzamide Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NCCS(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CO3)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NCCS(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CO3)C

InChI

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