1-[5-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amino]-2,3-dihydroindol-1-yl]ethanone

Systemtic Name: 1-[5-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amino]-2,3-dihydroindol-1-yl]ethanone Openeye Name: 1-[5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-anilino]indolin-1-yl]ethanone CAS Name: 1-[5-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitroanilino]-2,3-dihydroindol-1-yl]ethanone IUPAC Name: 1-[5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitroanilino]-2,3-dihydroindol-1-yl]ethanone Traditional Name: 1-[5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-anilino]indolin-1-yl]ethanone Formula: C21H26N5O5S+ MolecularWeight: 460.52664

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=C1C=CC(=C2)NC3=C(C=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCC2=C1C=CC(=C2)NC3=C(C=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O5S/c1-15(27)25-8-7-16-13-17(3-6-20(16)25)22-19-5-4-18(14-21(19)26(28)29)32(30,31)24-11-9-23(2)10-12-24/h3-6,13-14,22H,7-12H2,1-2H3/p+1