3-[3-[ethyl(phenylsulfonyl)amino]-2-methyl-indol-1-yl]propanoic acid

Systemtic Name: 3-[3-[ethyl(phenylsulfonyl)amino]-2-methyl-indol-1-yl]propanoic acid Openeye Name: 3-[3-[benzenesulfonyl(ethyl)amino]-2-methyl-indol-1-yl]propanoic acid CAS Name: 3-[3-[benzenesulfonyl(ethyl)amino]-2-methyl-1-indolyl]propanoic acid IUPAC Name: 3-[3-[benzenesulfonyl(ethyl)amino]-2-methylindol-1-yl]propanoic acid Traditional Name: 3-[3-[besyl(ethyl)amino]-2-methyl-indol-1-yl]propionic acid Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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