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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1CCC(=O)O)CCNS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1CCC(=O)O)CCNS(=O)(=O)C3=CC=CC=C3

InChI

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