(2S)-3-methyl-2-[[1-(4-methylphenyl)sulfonylindol-4-yl]amino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[[1-(4-methylphenyl)sulfonylindol-4-yl]amino]butanoic acid Openeye Name: (2S)-3-methyl-2-[[1-(p-tolylsulfonyl)indol-4-yl]amino]butanoic acid CAS Name: (2S)-3-methyl-2-[[1-(4-methylphenyl)sulfonyl-4-indolyl]amino]butanoic acid IUPAC Name: (2S)-3-methyl-2-[[1-(4-methylphenyl)sulfonylindol-4-yl]amino]butanoic acid Traditional Name: (2S)-3-methyl-2-[(1-tosylindol-4-yl)amino]butyric acid Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2C=CC=C3NC(C(C)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2C=CC=C3N[C@@H](C(C)C)C(=O)O

InChI

InChI=1S/C20H22N2O4S/c1-13(2)19(20(23)24)21-17-5-4-6-18-16(17)11-12-22(18)27(25,26)15-9-7-14(3)8-10-15/h4-13,19,21H,1-3H3,(H,23,24)/t19-/m0/s1