3-pyridin-3-yl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-pyridin-3-yl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]propan-1-one Openeye Name: 3-(3-pyridyl)-1-(4-tetralin-6-ylsulfonylpiperazin-1-yl)propan-1-one CAS Name: 3-(3-pyridinyl)-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-pyridin-3-yl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]propan-1-one Traditional Name: 3-(3-pyridyl)-1-(4-tetralin-6-ylsulfonylpiperazino)propan-1-one Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C(=O)CCC4=CN=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C(=O)CCC4=CN=CC=C4

InChI

InChI=1S/C22H27N3O3S/c26-22(10-7-18-4-3-11-23-17-18)24-12-14-25(15-13-24)29(27,28)21-9-8-19-5-1-2-6-20(19)16-21/h3-4,8-9,11,16-17H,1-2,5-7,10,12-15H2