3-[[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-(tetralin-6-ylsulfonylamino)benzoyl]amino]propanoic acid CAS Name: 3-[[oxo-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenyl]methyl]amino]propanoic acid IUPAC Name: 3-[[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoyl]amino]propanoic acid Traditional Name: 3-[[4-(tetralin-6-ylsulfonylamino)benzoyl]amino]propionic acid Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)NCCC(=O)O

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)NCCC(=O)O

InChI

InChI=1S/C20H22N2O5S/c23-19(24)11-12-21-20(25)15-5-8-17(9-6-15)22-28(26,27)18-10-7-14-3-1-2-4-16(14)13-18/h5-10,13,22H,1-4,11-12H2,(H,21,25)(H,23,24)