4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone

Systemtic Name: 4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone Openeye Name: 4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl-[4-(3-pyridylsulfonyl)piperazin-1-yl]methanone CAS Name: 4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl-[4-(3-pyridinylsulfonyl)-1-piperazinyl]methanone IUPAC Name: 4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone Traditional Name: 4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl-[4-(3-pyridylsulfonyl)piperazino]methanone Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC2=C(CC1)C=C(S2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

C1CCCC2=C(CC1)C=C(S2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C20H25N3O3S2/c24-20(19-14-16-6-3-1-2-4-8-18(16)27-19)22-10-12-23(13-11-22)28(25,26)17-7-5-9-21-15-17/h5,7,9,14-15H,1-4,6,8,10-13H2