4-(1H-indol-3-yl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]butan-1-one

Systemtic Name: 4-(1H-indol-3-yl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 4-(1H-indol-3-yl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]butan-1-one CAS Name: 4-(1H-indol-3-yl)-1-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: 4-(1H-indol-3-yl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 4-(1H-indol-3-yl)-1-[4-(2-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(11-5-6-17-16-23-19-8-2-1-7-18(17)19)24-12-14-25(15-13-24)32(30,31)21-10-4-3-9-20(21)26(28)29/h1-4,7-10,16,23H,5-6,11-15H2