3-[4-[3-(cyclopropylcarbamoylamino)phenyl]phenyl]-2-(thiophen-2-ylsulfonylamino)propanoic acid

Systemtic Name: 3-[4-[3-(cyclopropylcarbamoylamino)phenyl]phenyl]-2-(thiophen-2-ylsulfonylamino)propanoic acid Openeye Name: 3-[4-[3-(cyclopropylcarbamoylamino)phenyl]phenyl]-2-(2-thienylsulfonylamino)propanoic acid CAS Name: 3-[4-[3-[[(cyclopropylamino)-oxomethyl]amino]phenyl]phenyl]-2-(thiophen-2-ylsulfonylamino)propanoic acid IUPAC Name: 3-[4-[3-(cyclopropylcarbamoylamino)phenyl]phenyl]-2-(thiophen-2-ylsulfonylamino)propanoic acid Traditional Name: 3-[4-[3-(cyclopropylcarbamoylamino)phenyl]phenyl]-2-(2-thienylsulfonylamino)propionic acid Formula: C23H23N3O5S2 MolecularWeight: 485.57582

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)NC2=CC=CC(=C2)C3=CC=C(C=C3)CC(C(=O)O)NS(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CC1NC(=O)NC2=CC=CC(=C2)C3=CC=C(C=C3)CC(C(=O)O)NS(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C23H23N3O5S2/c27-22(28)20(26-33(30,31)21-5-2-12-32-21)13-15-6-8-16(9-7-15)17-3-1-4-19(14-17)25-23(29)24-18-10-11-18/h1-9,12,14,18,20,26H,10-11,13H2,(H,27,28)(H2,24,25,29)