[3-(1,2,3,4-tetrazol-1-yl)phenyl] 3-acetamido-4-methoxy-benzenesulfonate

Systemtic Name: [3-(1,2,3,4-tetrazol-1-yl)phenyl] 3-acetamido-4-methoxy-benzenesulfonate Openeye Name: [3-(tetrazol-1-yl)phenyl] 3-acetamido-4-methoxy-benzenesulfonate CAS Name: 3-acetamido-4-methoxybenzenesulfonic acid [3-(1-tetrazolyl)phenyl] ester IUPAC Name: [3-(tetrazol-1-yl)phenyl] 3-acetamido-4-methoxybenzenesulfonate Traditional Name: 3-acetamido-4-methoxy-benzenesulfonic acid [3-(tetrazol-1-yl)phenyl] ester Formula: C16H15N5O5S MolecularWeight: 389.3858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC(=C2)N3C=NN=N3)OC

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC(=C2)N3C=NN=N3)OC

InChI

InChI=1S/C16H15N5O5S/c1-11(22)18-15-9-14(6-7-16(15)25-2)27(23,24)26-13-5-3-4-12(8-13)21-10-17-19-20-21/h3-10H,1-2H3,(H,18,22)