3-[3-[ethyl(phenylsulfonyl)amino]indol-1-yl]propanoic acid

Systemtic Name: 3-[3-[ethyl(phenylsulfonyl)amino]indol-1-yl]propanoic acid Openeye Name: 3-[3-[benzenesulfonyl(ethyl)amino]indol-1-yl]propanoic acid CAS Name: 3-[3-[benzenesulfonyl(ethyl)amino]-1-indolyl]propanoic acid IUPAC Name: 3-[3-[benzenesulfonyl(ethyl)amino]indol-1-yl]propanoic acid Traditional Name: 3-[3-[besyl(ethyl)amino]indol-1-yl]propionic acid Formula: C19H20N2O4S MolecularWeight: 372.4381

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O4S/c1-2-21(26(24,25)15-8-4-3-5-9-15)18-14-20(13-12-19(22)23)17-11-7-6-10-16(17)18/h3-11,14H,2,12-13H2,1H3,(H,22,23)