4-(1H-indol-3-yl)-1-[4-(phenylsulfonyl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-(1H-indol-3-yl)-1-[4-(phenylsulfonyl)piperazin-1-yl]butan-1-one Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-4-(1H-indol-3-yl)-1-butanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one Traditional Name: 1-(4-besylpiperazino)-4-(1H-indol-3-yl)butan-1-one Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCC2=CNC3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CCCC2=CNC3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H25N3O3S/c26-22(12-6-7-18-17-23-21-11-5-4-10-20(18)21)24-13-15-25(16-14-24)29(27,28)19-8-2-1-3-9-19/h1-5,8-11,17,23H,6-7,12-16H2