1-(1H-indol-3-yl)-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 1-(1H-indol-3-yl)-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 1-(1H-indol-3-yl)-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 1-(1H-indol-3-yl)-2-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 1-(1H-indol-3-yl)-2-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 1-(1H-indol-3-yl)-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]propan-1-one Formula: C22H24N4O5S MolecularWeight: 456.51476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(C)C(=O)C3=CNC4=CC=CC=C43

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(C)C(=O)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C22H24N4O5S/c1-15-7-8-17(26(28)29)13-21(15)32(30,31)25-11-9-24(10-12-25)16(2)22(27)19-14-23-20-6-4-3-5-18(19)20/h3-8,13-14,16,23H,9-12H2,1-2H3