[1-oxidanyl-1-oxidanylidene-3-[1-(2,4,6-trimethylphenyl)sulfonylindol-3-yl]butan-2-yl]azanium

Systemtic Name: [1-oxidanyl-1-oxidanylidene-3-[1-(2,4,6-trimethylphenyl)sulfonylindol-3-yl]butan-2-yl]azanium Openeye Name: [1-carboxy-2-[1-(2,4,6-trimethylphenyl)sulfonylindol-3-yl]propyl]ammonium CAS Name: [1-hydroxy-1-oxo-3-[1-(2,4,6-trimethylphenyl)sulfonyl-3-indolyl]butan-2-yl]ammonium IUPAC Name: [1-hydroxy-1-oxo-3-[1-(2,4,6-trimethylphenyl)sulfonylindol-3-yl]butan-2-yl]azanium Traditional Name: [1-carboxy-2-(1-mesitylsulfonylindol-3-yl)propyl]ammonium Formula: C21H25N2O4S+ MolecularWeight: 401.4992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2C=C(C3=CC=CC=C32)C(C)C(C(=O)O)[NH3+])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2C=C(C3=CC=CC=C32)C(C)C(C(=O)O)[NH3+])C

InChI

InChI=1S/C21H24N2O4S/c1-12-9-13(2)20(14(3)10-12)28(26,27)23-11-17(15(4)19(22)21(24)25)16-7-5-6-8-18(16)23/h5-11,15,19H,22H2,1-4H3,(H,24,25)/p+1