3-[(3-phenoxyphenyl)carbonylamino]propane-1-sulfonic acid

Systemtic Name: 3-[(3-phenoxyphenyl)carbonylamino]propane-1-sulfonic acid Openeye Name: 3-[(3-phenoxybenzoyl)amino]propane-1-sulfonic acid CAS Name: 3-[[oxo-(3-phenoxyphenyl)methyl]amino]-1-propanesulfonic acid IUPAC Name: 3-[(3-phenoxybenzoyl)amino]propane-1-sulfonic acid Traditional Name: 3-[(3-phenoxybenzoyl)amino]propane-1-sulfonic acid Formula: C16H17NO5S MolecularWeight: 335.37488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)NCCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)NCCCS(=O)(=O)O

InChI

InChI=1S/C16H17NO5S/c18-16(17-10-5-11-23(19,20)21)13-6-4-9-15(12-13)22-14-7-2-1-3-8-14/h1-4,6-9,12H,5,10-11H2,(H,17,18)(H,19,20,21)