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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3C=NN=N3)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3C=NN=N3)C

InChI

InChI=1S/C16H21N5O4S/c1-3-25-16(22)13-5-4-8-20(10-13)26(23,24)14-6-7-15(12(2)9-14)21-11-17-18-19-21/h6-7,9,11,13H,3-5,8,10H2,1-2H3/t13-/m0/s1