ethyl 1-[3-methyl-4-(1,2,3,4-tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-methyl-4-(1,2,3,4-tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[3-methyl-4-(1-tetrazolyl)phenyl]sulfonyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylisonipecotic acid ethyl ester Formula: C16H21N5O4S MolecularWeight: 379.43404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3C=NN=N3)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3C=NN=N3)C

InChI

InChI=1S/C16H21N5O4S/c1-3-25-16(22)13-6-8-20(9-7-13)26(23,24)14-4-5-15(12(2)10-14)21-11-17-18-19-21/h4-5,10-11,13H,3,6-9H2,1-2H3