phenyl 2-[5-(4-aminocarbonylphenyl)-1,2,3,4-tetrazol-2-yl]ethanesulfonate

Systemtic Name: phenyl 2-[5-(4-aminocarbonylphenyl)-1,2,3,4-tetrazol-2-yl]ethanesulfonate Openeye Name: phenyl 2-[5-(4-carbamoylphenyl)tetrazol-2-yl]ethanesulfonate CAS Name: 2-[5-(4-carbamoylphenyl)-2-tetrazolyl]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[5-(4-carbamoylphenyl)tetrazol-2-yl]ethanesulfonate Traditional Name: 2-[5-(4-carbamoylphenyl)tetrazol-2-yl]ethanesulfonic acid phenyl ester Formula: C16H15N5O4S MolecularWeight: 373.3864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)CCN2N=C(N=N2)C3=CC=C(C=C3)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)CCN2N=C(N=N2)C3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C16H15N5O4S/c17-15(22)12-6-8-13(9-7-12)16-18-20-21(19-16)10-11-26(23,24)25-14-4-2-1-3-5-14/h1-9H,10-11H2,(H2,17,22)