(1-propyl-1,2,3,4-tetrazol-5-yl)methyl 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: (1-propyltetrazol-5-yl)methyl 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid (1-propyltetrazol-5-yl)methyl ester Formula: C17H23N5O4S MolecularWeight: 393.46062

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCN1C(=NN=N1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H23N5O4S/c1-2-10-22-16(18-19-20-22)13-26-17(23)14-8-11-21(12-9-14)27(24,25)15-6-4-3-5-7-15/h3-7,14H,2,8-13H2,1H3