1-(1H-indol-3-yl)-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 1-(1H-indol-3-yl)-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(1H-indol-3-yl)-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 1-(1H-indol-3-yl)-2-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(1H-indol-3-yl)-2-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 1-(1H-indol-3-yl)-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]ethanone Formula: C21H22N4O6S MolecularWeight: 458.48758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)C3=CNC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)C3=CNC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O6S/c1-31-21-7-6-15(12-19(21)25(27)28)32(29,30)24-10-8-23(9-11-24)14-20(26)17-13-22-18-5-3-2-4-16(17)18/h2-7,12-13,22H,8-11,14H2,1H3