1-[4-[4-(furan-2-yl)piperazin-1-yl]sulfonylphenyl]sulfonylazepane

Systemtic Name: 1-[4-[4-(furan-2-yl)piperazin-1-yl]sulfonylphenyl]sulfonylazepane Openeye Name: 1-[4-[4-(2-furyl)piperazin-1-yl]sulfonylphenyl]sulfonylazepane CAS Name: 1-[4-[[4-(2-furanyl)-1-piperazinyl]sulfonyl]phenyl]sulfonylazepane IUPAC Name: 1-[4-[4-(furan-2-yl)piperazin-1-yl]sulfonylphenyl]sulfonylazepane Traditional Name: 1-[4-[4-(2-furyl)piperazino]sulfonylphenyl]sulfonylazepane Formula: C20H27N3O5S2 MolecularWeight: 453.57548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O5S2/c24-29(25,22-11-3-1-2-4-12-22)18-7-9-19(10-8-18)30(26,27)23-15-13-21(14-16-23)20-6-5-17-28-20/h5-10,17H,1-4,11-16H2