2-(azepan-1-ylsulfonylamino)-2-phenyl-ethanoic acid

Systemtic Name: 2-(azepan-1-ylsulfonylamino)-2-phenyl-ethanoic acid Openeye Name: 2-(azepan-1-ylsulfonylamino)-2-phenyl-acetic acid CAS Name: 2-(1-azepanylsulfonylamino)-2-phenylacetic acid IUPAC Name: 2-(azepan-1-ylsulfonylamino)-2-phenylacetic acid Traditional Name: 2-(azepan-1-ylsulfonylamino)-2-phenyl-acetic acid Formula: C14H20N2O4S MolecularWeight: 312.3846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)NC(C2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)NC(C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C14H20N2O4S/c17-14(18)13(12-8-4-3-5-9-12)15-21(19,20)16-10-6-1-2-7-11-16/h3-5,8-9,13,15H,1-2,6-7,10-11H2,(H,17,18)