[4-[4-(azepan-1-ylcarbonyl)thiophen-2-yl]sulfonylpiperazin-1-yl]-(furan-2-yl)methanone

Systemtic Name: [4-[4-(azepan-1-ylcarbonyl)thiophen-2-yl]sulfonylpiperazin-1-yl]-(furan-2-yl)methanone Openeye Name: [4-[[4-(azepane-1-carbonyl)-2-thienyl]sulfonyl]piperazin-1-yl]-(2-furyl)methanone CAS Name: [4-[[4-[1-azepanyl(oxo)methyl]-2-thiophenyl]sulfonyl]-1-piperazinyl]-(2-furanyl)methanone IUPAC Name: [4-[4-(azepane-1-carbonyl)thiophen-2-yl]sulfonylpiperazin-1-yl]-(furan-2-yl)methanone Traditional Name: [4-[[4-(azepane-1-carbonyl)-2-thienyl]sulfonyl]piperazino]-(2-furyl)methanone Formula: C20H25N3O5S2 MolecularWeight: 451.5596

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CSC(=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CSC(=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C20H25N3O5S2/c24-19(21-7-3-1-2-4-8-21)16-14-18(29-15-16)30(26,27)23-11-9-22(10-12-23)20(25)17-6-5-13-28-17/h5-6,13-15H,1-4,7-12H2