(4-methylpiperazin-1-yl)-[5-nitro-1-(4-propan-2-ylphenyl)sulfonyl-indol-3-yl]methanone

Systemtic Name: (4-methylpiperazin-1-yl)-[5-nitro-1-(4-propan-2-ylphenyl)sulfonyl-indol-3-yl]methanone Openeye Name: [1-(4-isopropylphenyl)sulfonyl-5-nitro-indol-3-yl]-(4-methylpiperazin-1-yl)methanone CAS Name: (4-methyl-1-piperazinyl)-[5-nitro-1-(4-propan-2-ylphenyl)sulfonyl-3-indolyl]methanone IUPAC Name: (4-methylpiperazin-1-yl)-[5-nitro-1-(4-propan-2-ylphenyl)sulfonylindol-3-yl]methanone Traditional Name: (4-methylpiperazino)-(5-nitro-1-p-cumenylsulfonyl-indol-3-yl)methanone Formula: C23H26N4O5S MolecularWeight: 470.54134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)[N+](=O)[O-])C(=O)N4CCN(CC4)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)[N+](=O)[O-])C(=O)N4CCN(CC4)C

InChI

InChI=1S/C23H26N4O5S/c1-16(2)17-4-7-19(8-5-17)33(31,32)26-15-21(23(28)25-12-10-24(3)11-13-25)20-14-18(27(29)30)6-9-22(20)26/h4-9,14-16H,10-13H2,1-3H3