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

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (1-butyltetrazol-5-yl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-chlorophenyl)sulfonyl-4-piperidinecarboxylic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-chlorophenyl)sulfonylisonipecotic acid (1-butyltetrazol-5-yl)methyl ester Formula: C18H24ClN5O4S MolecularWeight: 441.93226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24ClN5O4S/c1-2-3-10-24-17(20-21-22-24)13-28-18(25)14-8-11-23(12-9-14)29(26,27)16-6-4-15(19)5-7-16/h4-7,14H,2-3,8-13H2,1H3