1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-3-pyridin-3-yl-propan-1-one

Systemtic Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-3-pyridin-3-yl-propan-1-one Openeye Name: 1-(4-indan-5-ylsulfonylpiperazin-1-yl)-3-(3-pyridyl)propan-1-one CAS Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]-3-(3-pyridinyl)-1-propanone IUPAC Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-3-pyridin-3-ylpropan-1-one Traditional Name: 1-(4-indan-5-ylsulfonylpiperazino)-3-(3-pyridyl)propan-1-one Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CCC4=CN=CC=C4

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CCC4=CN=CC=C4

InChI

InChI=1S/C21H25N3O3S/c25-21(9-6-17-3-2-10-22-16-17)23-11-13-24(14-12-23)28(26,27)20-8-7-18-4-1-5-19(18)15-20/h2-3,7-8,10,15-16H,1,4-6,9,11-14H2