[4-(1,2,3,4-tetrazol-1-yl)phenyl] 4-ethyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [4-(1,2,3,4-tetrazol-1-yl)phenyl] 4-ethyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [4-(tetrazol-1-yl)phenyl] 4-ethyl-3-morpholinosulfonyl-benzoate CAS Name: 4-ethyl-3-(4-morpholinylsulfonyl)benzoic acid [4-(1-tetrazolyl)phenyl] ester IUPAC Name: [4-(tetrazol-1-yl)phenyl] 4-ethyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-ethyl-3-morpholinosulfonyl-benzoic acid [4-(tetrazol-1-yl)phenyl] ester Formula: C20H21N5O5S MolecularWeight: 443.47624

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)N3C=NN=N3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)N3C=NN=N3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C20H21N5O5S/c1-2-15-3-4-16(13-19(15)31(27,28)24-9-11-29-12-10-24)20(26)30-18-7-5-17(6-8-18)25-14-21-22-23-25/h3-8,13-14H,2,9-12H2,1H3