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

Systemtic Name: 1-(1H-indol-3-yl)-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 1-(1H-indol-3-yl)-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 1-(1H-indol-3-yl)-2-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 1-(1H-indol-3-yl)-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 1-(1H-indol-3-yl)-2-[4-(3-nitrophenyl)sulfonylpiperazino]propan-1-one Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)C1=CNC2=CC=CC=C21)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O5S/c1-15(21(26)19-14-22-20-8-3-2-7-18(19)20)23-9-11-24(12-10-23)31(29,30)17-6-4-5-16(13-17)25(27)28/h2-8,13-15,22H,9-12H2,1H3