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

Systemtic Name: 3-(1H-indol-3-yl)-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(1H-indol-3-yl)-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(1H-indol-3-yl)-1-[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(1H-indol-3-yl)-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(1H-indol-3-yl)-1-(4-nosylpiperazino)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=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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