4-(1H-indol-3-yl)-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-(1H-indol-3-yl)-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]butan-1-one Openeye Name: 4-(1H-indol-3-yl)-1-(4-tetralin-6-ylsulfonylpiperazin-1-yl)butan-1-one CAS Name: 4-(1H-indol-3-yl)-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(1H-indol-3-yl)-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]butan-1-one Traditional Name: 4-(1H-indol-3-yl)-1-(4-tetralin-6-ylsulfonylpiperazino)butan-1-one Formula: C26H31N3O3S MolecularWeight: 465.60764

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C(=O)CCCC4=CNC5=CC=CC=C54

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C(=O)CCCC4=CNC5=CC=CC=C54

InChI

InChI=1S/C26H31N3O3S/c30-26(11-5-8-22-19-27-25-10-4-3-9-24(22)25)28-14-16-29(17-15-28)33(31,32)23-13-12-20-6-1-2-7-21(20)18-23/h3-4,9-10,12-13,18-19,27H,1-2,5-8,11,14-17H2