(2R,3S)-2-azaniumyl-3-[1-(2,4,6-trimethylphenyl)sulfonylindol-3-yl]butanoate

Systemtic Name: (2R,3S)-2-azaniumyl-3-[1-(2,4,6-trimethylphenyl)sulfonylindol-3-yl]butanoate Openeye Name: (2R,3S)-2-azaniumyl-3-[1-(2,4,6-trimethylphenyl)sulfonylindol-3-yl]butanoate CAS Name: (2R,3S)-2-ammonio-3-[1-(2,4,6-trimethylphenyl)sulfonyl-3-indolyl]butanoate IUPAC Name: (2R,3S)-2-azaniumyl-3-[1-(2,4,6-trimethylphenyl)sulfonylindol-3-yl]butanoate Traditional Name: (2R,3S)-2-ammonio-3-(1-mesitylsulfonylindol-3-yl)butyrate Formula: C21H24N2O4S MolecularWeight: 400.49126

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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@H](C)[C@H](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)/t15-,19+/m0/s1