3-(1H-indol-2-yl)-2-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-(1H-indol-2-yl)-2-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]sulfonylamino]propanoic acid Openeye Name: 3-(1H-indol-2-yl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]propanoic acid CAS Name: 3-(1H-indol-2-yl)-2-[[4-(2-oxo-1-pyrrolidinyl)phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-(1H-indol-2-yl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]propanoic acid Traditional Name: 3-(1H-indol-2-yl)-2-[[4-(2-ketopyrrolidino)phenyl]sulfonylamino]propionic acid Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)NC(CC3=CC4=CC=CC=C4N3)C(=O)O

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)NC(CC3=CC4=CC=CC=C4N3)C(=O)O

InChI

InChI=1S/C21H21N3O5S/c25-20-6-3-11-24(20)16-7-9-17(10-8-16)30(28,29)23-19(21(26)27)13-15-12-14-4-1-2-5-18(14)22-15/h1-2,4-5,7-10,12,19,22-23H,3,6,11,13H2,(H,26,27)