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

Systemtic Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one Openeye Name: 1-(4-indan-5-ylsulfonylpiperazin-1-yl)-4-(1H-indol-3-yl)butan-1-one CAS Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]-4-(1H-indol-3-yl)-1-butanone IUPAC Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one Traditional Name: 1-(4-indan-5-ylsulfonylpiperazino)-4-(1H-indol-3-yl)butan-1-one Formula: C25H29N3O3S MolecularWeight: 451.58106

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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=CNC5=CC=CC=C54

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CCCC4=CNC5=CC=CC=C54

InChI

InChI=1S/C25H29N3O3S/c29-25(10-4-7-21-18-26-24-9-2-1-8-23(21)24)27-13-15-28(16-14-27)32(30,31)22-12-11-19-5-3-6-20(19)17-22/h1-2,8-9,11-12,17-18,26H,3-7,10,13-16H2