3-phenyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanoic acid

Systemtic Name: 3-phenyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanoic acid Openeye Name: 3-phenyl-2-[(1-propanoylindolin-5-yl)sulfonylamino]propanoic acid CAS Name: 2-[[1-(1-oxopropyl)-2,3-dihydroindol-5-yl]sulfonylamino]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanoic acid Traditional Name: 3-phenyl-2-[(1-propionylindolin-5-yl)sulfonylamino]propionic acid Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H22N2O5S/c1-2-19(23)22-11-10-15-13-16(8-9-18(15)22)28(26,27)21-17(20(24)25)12-14-6-4-3-5-7-14/h3-9,13,17,21H,2,10-12H2,1H3,(H,24,25)