3-phenyl-2-[(4-sulfonylcyclohexa-1,5-dien-1-yl)carbonylamino]propanoic acid

Systemtic Name: 3-phenyl-2-[(4-sulfonylcyclohexa-1,5-dien-1-yl)carbonylamino]propanoic acid Openeye Name: 3-phenyl-2-[(4-sulfonylcyclohexa-1,5-diene-1-carbonyl)amino]propanoic acid CAS Name: 2-[[oxo-(4-sulfonyl-1-cyclohexa-1,5-dienyl)methyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-2-[(4-sulfonylcyclohexa-1,5-diene-1-carbonyl)amino]propanoic acid Traditional Name: 3-phenyl-2-[(4-sulfonylcyclohexa-1,5-diene-1-carbonyl)amino]propionic acid Formula: C16H15NO5S MolecularWeight: 333.359

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C=CC1=S(=O)=O)C(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1C=C(C=CC1=S(=O)=O)C(=O)NC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C16H15NO5S/c18-15(12-6-8-13(9-7-12)23(21)22)17-14(16(19)20)10-11-4-2-1-3-5-11/h1-8,14H,9-10H2,(H,17,18)(H,19,20)