[1-(4-methylphenyl)sulfonyl-5-nitro-indol-3-yl]-(4-methylpiperazin-1-yl)methanone

Systemtic Name: [1-(4-methylphenyl)sulfonyl-5-nitro-indol-3-yl]-(4-methylpiperazin-1-yl)methanone Openeye Name: (4-methylpiperazin-1-yl)-[5-nitro-1-(p-tolylsulfonyl)indol-3-yl]methanone CAS Name: [1-(4-methylphenyl)sulfonyl-5-nitro-3-indolyl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: [1-(4-methylphenyl)sulfonyl-5-nitroindol-3-yl]-(4-methylpiperazin-1-yl)methanone Traditional Name: (4-methylpiperazino)-(5-nitro-1-tosyl-indol-3-yl)methanone Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)[N+](=O)[O-])C(=O)N4CCN(CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)[N+](=O)[O-])C(=O)N4CCN(CC4)C

InChI

InChI=1S/C21H22N4O5S/c1-15-3-6-17(7-4-15)31(29,30)24-14-19(21(26)23-11-9-22(2)10-12-23)18-13-16(25(27)28)5-8-20(18)24/h3-8,13-14H,9-12H2,1-2H3