3-[3-[ethyl-(4-phenoxyphenyl)sulfonyl-amino]indol-1-yl]propanoic acid

Systemtic Name: 3-[3-[ethyl-(4-phenoxyphenyl)sulfonyl-amino]indol-1-yl]propanoic acid Openeye Name: 3-[3-[ethyl-(4-phenoxyphenyl)sulfonyl-amino]indol-1-yl]propanoic acid CAS Name: 3-[3-[ethyl-(4-phenoxyphenyl)sulfonylamino]-1-indolyl]propanoic acid IUPAC Name: 3-[3-[ethyl-(4-phenoxyphenyl)sulfonylamino]indol-1-yl]propanoic acid Traditional Name: 3-[3-[ethyl-(4-phenoxyphenyl)sulfonyl-amino]indol-1-yl]propionic acid Formula: C25H24N2O5S MolecularWeight: 464.53346

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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=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CCN(C1=CN(C2=CC=CC=C21)CCC(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H24N2O5S/c1-2-27(24-18-26(17-16-25(28)29)23-11-7-6-10-22(23)24)33(30,31)21-14-12-20(13-15-21)32-19-8-4-3-5-9-19/h3-15,18H,2,16-17H2,1H3,(H,28,29)