3-[3-[ethyl(phenylsulfonyl)amino]-5-methyl-indol-1-yl]propanoic acid

Systemtic Name: 3-[3-[ethyl(phenylsulfonyl)amino]-5-methyl-indol-1-yl]propanoic acid Openeye Name: 3-[3-[benzenesulfonyl(ethyl)amino]-5-methyl-indol-1-yl]propanoic acid CAS Name: 3-[3-[benzenesulfonyl(ethyl)amino]-5-methyl-1-indolyl]propanoic acid IUPAC Name: 3-[3-[benzenesulfonyl(ethyl)amino]-5-methylindol-1-yl]propanoic acid Traditional Name: 3-[3-[besyl(ethyl)amino]-5-methyl-indol-1-yl]propionic acid Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CN(C2=C1C=C(C=C2)C)CCC(=O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCN(C1=CN(C2=C1C=C(C=C2)C)CCC(=O)O)S(=O)(=O)C3=CC=CC=C3

InChI

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