(2R)-1-(2,3-dihydroindol-1-yl)-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]propan-1-one

Systemtic Name: (2R)-1-(2,3-dihydroindol-1-yl)-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]propan-1-one Openeye Name: (2R)-1-indolin-1-yl-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]propan-1-one CAS Name: (2R)-1-(2,3-dihydroindol-1-yl)-2-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]-1-propanone IUPAC Name: (2R)-1-(2,3-dihydroindol-1-yl)-2-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]propan-1-one Traditional Name: (2R)-1-indolin-1-yl-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]propan-1-one Formula: C22H27N4O6S+ MolecularWeight: 475.53798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C21)[NH+]3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)N1CCC2=CC=CC=C21)[NH+]3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O6S/c1-16(22(27)25-10-9-17-5-3-4-6-19(17)25)23-11-13-24(14-12-23)33(30,31)18-7-8-21(32-2)20(15-18)26(28)29/h3-8,15-16H,9-14H2,1-2H3/p+1/t16-/m1/s1