1-[2-oxidanylidene-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethyl]azepan-2-one

Systemtic Name: 1-[2-oxidanylidene-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethyl]azepan-2-one Openeye Name: 1-[2-oxo-2-(4-tetralin-6-ylsulfonylpiperazin-1-yl)ethyl]azepan-2-one CAS Name: 1-[2-oxo-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1-piperazinyl]ethyl]-2-azepanone IUPAC Name: 1-[2-oxo-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethyl]azepan-2-one Traditional Name: 1-[2-keto-2-(4-tetralin-6-ylsulfonylpiperazino)ethyl]azepan-2-one Formula: C22H31N3O4S MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCCC4)C=C3

Isomeric SMILES

C1CCC(=O)N(CC1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCCC4)C=C3

InChI

InChI=1S/C22H31N3O4S/c26-21-8-2-1-5-11-24(21)17-22(27)23-12-14-25(15-13-23)30(28,29)20-10-9-18-6-3-4-7-19(18)16-20/h9-10,16H,1-8,11-15,17H2