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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC2=CNC3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)CCC2=CNC3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O5S/c26-21(10-9-16-15-22-18-6-2-1-5-17(16)18)23-11-13-24(14-12-23)31(29,30)20-8-4-3-7-19(20)25(27)28/h1-8,15,22H,9-14H2