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

Systemtic Name: 3-[4-[3-(ethylcarbamoylamino)phenyl]phenyl]-2-(thiophen-2-ylsulfonylamino)propanoic acid Openeye Name: 3-[4-[3-(ethylcarbamoylamino)phenyl]phenyl]-2-(2-thienylsulfonylamino)propanoic acid CAS Name: 3-[4-[3-(ethylcarbamoylamino)phenyl]phenyl]-2-(thiophen-2-ylsulfonylamino)propanoic acid IUPAC Name: 3-[4-[3-(ethylcarbamoylamino)phenyl]phenyl]-2-(thiophen-2-ylsulfonylamino)propanoic acid Traditional Name: 3-[4-[3-(ethylcarbamoylamino)phenyl]phenyl]-2-(2-thienylsulfonylamino)propionic acid Formula: C22H23N3O5S2 MolecularWeight: 473.56512

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=CC=CC(=C1)C2=CC=C(C=C2)CC(C(=O)O)NS(=O)(=O)C3=CC=CS3

Isomeric SMILES

CCNC(=O)NC1=CC=CC(=C1)C2=CC=C(C=C2)CC(C(=O)O)NS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C22H23N3O5S2/c1-2-23-22(28)24-18-6-3-5-17(14-18)16-10-8-15(9-11-16)13-19(21(26)27)25-32(29,30)20-7-4-12-31-20/h3-12,14,19,25H,2,13H2,1H3,(H,26,27)(H2,23,24,28)