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

Systemtic Name: (4-methylpiperazin-1-yl)-[5-nitro-1-(phenylsulfonyl)indol-3-yl]methanone Openeye Name: [1-(benzenesulfonyl)-5-nitro-indol-3-yl]-(4-methylpiperazin-1-yl)methanone CAS Name: [1-(benzenesulfonyl)-5-nitro-3-indolyl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: [1-(benzenesulfonyl)-5-nitroindol-3-yl]-(4-methylpiperazin-1-yl)methanone Traditional Name: (1-besyl-5-nitro-indol-3-yl)-(4-methylpiperazino)methanone Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CN(C3=C2C=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CN(C3=C2C=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H20N4O5S/c1-21-9-11-22(12-10-21)20(25)18-14-23(30(28,29)16-5-3-2-4-6-16)19-8-7-15(24(26)27)13-17(18)19/h2-8,13-14H,9-12H2,1H3