4-(1H-indol-3-yl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]butan-1-one

Systemtic Name: 4-(1H-indol-3-yl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 4-(1H-indol-3-yl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]butan-1-one CAS Name: 4-(1H-indol-3-yl)-1-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: 4-(1H-indol-3-yl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 4-(1H-indol-3-yl)-1-[4-(3-nitrophenyl)sulfonylpiperazino]butan-1-one Formula: C22H24N4O5S MolecularWeight: 456.51476

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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)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)CCCC2=CNC3=CC=CC=C32)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O5S/c27-22(10-3-5-17-16-23-21-9-2-1-8-20(17)21)24-11-13-25(14-12-24)32(30,31)19-7-4-6-18(15-19)26(28)29/h1-2,4,6-9,15-16,23H,3,5,10-14H2