5-phenyl-2-[[4-(pyrrolidin-1-ylcarbonylamino)phenyl]sulfonylamino]pent-4-ynoic acid

Systemtic Name: 5-phenyl-2-[[4-(pyrrolidin-1-ylcarbonylamino)phenyl]sulfonylamino]pent-4-ynoic acid Openeye Name: 5-phenyl-2-[[4-(pyrrolidine-1-carbonylamino)phenyl]sulfonylamino]pent-4-ynoic acid CAS Name: 2-[[4-[[oxo(1-pyrrolidinyl)methyl]amino]phenyl]sulfonylamino]-5-phenyl-4-pentynoic acid IUPAC Name: 5-phenyl-2-[[4-(pyrrolidine-1-carbonylamino)phenyl]sulfonylamino]pent-4-ynoic acid Traditional Name: 5-phenyl-2-[[4-(pyrrolidine-1-carbonylamino)phenyl]sulfonylamino]pent-4-ynoic acid Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC(CC#CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CCN(C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC(CC#CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H23N3O5S/c26-21(27)20(10-6-9-17-7-2-1-3-8-17)24-31(29,30)19-13-11-18(12-14-19)23-22(28)25-15-4-5-16-25/h1-3,7-8,11-14,20,24H,4-5,10,15-16H2,(H,23,28)(H,26,27)