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

Systemtic Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-4-thiophen-2-yl-butan-1-one Openeye Name: 1-(4-indan-5-ylsulfonylpiperazin-1-yl)-4-(2-thienyl)butan-1-one CAS Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]-4-thiophen-2-yl-1-butanone IUPAC Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-4-thiophen-2-ylbutan-1-one Traditional Name: 1-(4-indan-5-ylsulfonylpiperazino)-4-(2-thienyl)butan-1-one Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CCCC4=CC=CS4

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CCCC4=CC=CS4

InChI

InChI=1S/C21H26N2O3S2/c24-21(8-2-6-19-7-3-15-27-19)22-11-13-23(14-12-22)28(25,26)20-10-9-17-4-1-5-18(17)16-20/h3,7,9-10,15-16H,1-2,4-6,8,11-14H2