3-[3-[ethyl-(4-methylphenyl)sulfonyl-amino]indol-1-yl]propanoic acid

Systemtic Name: 3-[3-[ethyl-(4-methylphenyl)sulfonyl-amino]indol-1-yl]propanoic acid Openeye Name: 3-[3-[ethyl(p-tolylsulfonyl)amino]indol-1-yl]propanoic acid CAS Name: 3-[3-[ethyl-(4-methylphenyl)sulfonylamino]-1-indolyl]propanoic acid IUPAC Name: 3-[3-[ethyl-(4-methylphenyl)sulfonylamino]indol-1-yl]propanoic acid Traditional Name: 3-[3-[ethyl(tosyl)amino]indol-1-yl]propionic acid Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CN(C2=CC=CC=C21)CCC(=O)O)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCN(C1=CN(C2=CC=CC=C21)CCC(=O)O)S(=O)(=O)C3=CC=C(C=C3)C

InChI

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