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

Systemtic Name: 4-(1H-indol-3-yl)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 4-(1H-indol-3-yl)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]butan-1-one CAS Name: 4-(1H-indol-3-yl)-1-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: 4-(1H-indol-3-yl)-1-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 4-(1H-indol-3-yl)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]butan-1-one Formula: C23H26N4O5S MolecularWeight: 470.54134

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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(=O)CCCC3=CNC4=CC=CC=C43

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)CCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C23H26N4O5S/c1-17-9-10-19(27(29)30)15-22(17)33(31,32)26-13-11-25(12-14-26)23(28)8-4-5-18-16-24-21-7-3-2-6-20(18)21/h2-3,6-7,9-10,15-16,24H,4-5,8,11-14H2,1H3