(2S)-2-azanyl-3-[1-(2,4,6-trimethylphenyl)sulfonylindol-3-yl]propanoic acid

Systemtic Name: (2S)-2-azanyl-3-[1-(2,4,6-trimethylphenyl)sulfonylindol-3-yl]propanoic acid Openeye Name: (2S)-2-amino-3-[1-(2,4,6-trimethylphenyl)sulfonylindol-3-yl]propanoic acid CAS Name: (2S)-2-amino-3-[1-(2,4,6-trimethylphenyl)sulfonyl-3-indolyl]propanoic acid IUPAC Name: (2S)-2-amino-3-[1-(2,4,6-trimethylphenyl)sulfonylindol-3-yl]propanoic acid Traditional Name: (2S)-2-amino-3-(1-mesitylsulfonylindol-3-yl)propionic acid Formula: C20H22N2O4S MolecularWeight: 386.46468

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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)CC(C(=O)O)N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2C=C(C3=CC=CC=C32)C[C@@H](C(=O)O)N)C

InChI

InChI=1S/C20H22N2O4S/c1-12-8-13(2)19(14(3)9-12)27(25,26)22-11-15(10-17(21)20(23)24)16-6-4-5-7-18(16)22/h4-9,11,17H,10,21H2,1-3H3,(H,23,24)/t17-/m0/s1