3-[5-methyl-3-[2-(phenylsulfonylamino)ethyl]indol-1-yl]propanoic acid

Systemtic Name: 3-[5-methyl-3-[2-(phenylsulfonylamino)ethyl]indol-1-yl]propanoic acid Openeye Name: 3-[3-[2-(benzenesulfonamido)ethyl]-5-methyl-indol-1-yl]propanoic acid CAS Name: 3-[3-[2-(benzenesulfonamido)ethyl]-5-methyl-1-indolyl]propanoic acid IUPAC Name: 3-[3-[2-(benzenesulfonamido)ethyl]-5-methylindol-1-yl]propanoic acid Traditional Name: 3-[3-[2-(benzenesulfonamido)ethyl]-5-methyl-indol-1-yl]propionic acid Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C=C2CCNS(=O)(=O)C3=CC=CC=C3)CCC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N(C=C2CCNS(=O)(=O)C3=CC=CC=C3)CCC(=O)O

InChI

InChI=1S/C20H22N2O4S/c1-15-7-8-19-18(13-15)16(14-22(19)12-10-20(23)24)9-11-21-27(25,26)17-5-3-2-4-6-17/h2-8,13-14,21H,9-12H2,1H3,(H,23,24)