3-phenyl-3-[[4-[3-(thiomorpholin-4-ylcarbonylamino)phenyl]phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-phenyl-3-[[4-[3-(thiomorpholin-4-ylcarbonylamino)phenyl]phenyl]sulfonylamino]propanoic acid Openeye Name: 3-phenyl-3-[[4-[3-(thiomorpholine-4-carbonylamino)phenyl]phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[4-[3-[[oxo(thiomorpholin-4-yl)methyl]amino]phenyl]phenyl]sulfonylamino]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-3-[[4-[3-(thiomorpholine-4-carbonylamino)phenyl]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-phenyl-3-[[4-[3-(thiomorpholine-4-carbonylamino)phenyl]phenyl]sulfonylamino]propionic acid Formula: C26H27N3O5S2 MolecularWeight: 525.63968

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C(=O)NC2=CC=CC(=C2)C3=CC=C(C=C3)S(=O)(=O)NC(CC(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1CSCCN1C(=O)NC2=CC=CC(=C2)C3=CC=C(C=C3)S(=O)(=O)NC(CC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C26H27N3O5S2/c30-25(31)18-24(20-5-2-1-3-6-20)28-36(33,34)23-11-9-19(10-12-23)21-7-4-8-22(17-21)27-26(32)29-13-15-35-16-14-29/h1-12,17,24,28H,13-16,18H2,(H,27,32)(H,30,31)