3-(1-benzothiophen-3-yl)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-(1-benzothiophen-3-yl)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoic acid Openeye Name: 3-(benzothiophen-3-yl)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoic acid CAS Name: 3-(1-benzothiophen-3-yl)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-(1-benzothiophen-3-yl)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoic acid Traditional Name: 3-(benzothiophen-3-yl)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propionic acid Formula: C23H18ClNO4S2 MolecularWeight: 471.97632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CS2)CC(C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CS2)CC(C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H18ClNO4S2/c24-18-9-5-15(6-10-18)16-7-11-19(12-8-16)31(28,29)25-21(23(26)27)13-17-14-30-22-4-2-1-3-20(17)22/h1-12,14,21,25H,13H2,(H,26,27)