[4-(1,2,3,4-tetrazol-1-yl)phenyl] 1-methyl-4-morpholin-4-ylsulfonyl-pyrrole-2-carboxylate

Systemtic Name: [4-(1,2,3,4-tetrazol-1-yl)phenyl] 1-methyl-4-morpholin-4-ylsulfonyl-pyrrole-2-carboxylate Openeye Name: [4-(tetrazol-1-yl)phenyl] 1-methyl-4-morpholinosulfonyl-pyrrole-2-carboxylate CAS Name: 1-methyl-4-(4-morpholinylsulfonyl)-2-pyrrolecarboxylic acid [4-(1-tetrazolyl)phenyl] ester IUPAC Name: [4-(tetrazol-1-yl)phenyl] 1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxylate Traditional Name: 1-methyl-4-morpholinosulfonyl-pyrrole-2-carboxylic acid [4-(tetrazol-1-yl)phenyl] ester Formula: C17H18N6O5S MolecularWeight: 418.42702

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OC2=CC=C(C=C2)N3C=NN=N3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CN1C=C(C=C1C(=O)OC2=CC=C(C=C2)N3C=NN=N3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C17H18N6O5S/c1-21-11-15(29(25,26)22-6-8-27-9-7-22)10-16(21)17(24)28-14-4-2-13(3-5-14)23-12-18-19-20-23/h2-5,10-12H,6-9H2,1H3