(1-butyl-1,2,3,4-tetrazol-5-yl)methyl 1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (1-butyltetrazol-5-yl)methyl 1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2,4-dimethylphenyl)sulfonyl-4-piperidinecarboxylic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2,4-dimethylphenyl)sulfonylisonipecotic acid (1-butyltetrazol-5-yl)methyl ester Formula: C20H29N5O4S MolecularWeight: 435.54036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)C)C

Isomeric SMILES

CCCCN1C(=NN=N1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)C)C

InChI

InChI=1S/C20H29N5O4S/c1-4-5-10-25-19(21-22-23-25)14-29-20(26)17-8-11-24(12-9-17)30(27,28)18-7-6-15(2)13-16(18)3/h6-7,13,17H,4-5,8-12,14H2,1-3H3