(1-propyl-1,2,3,4-tetrazol-5-yl)methyl 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl 3-piperidin-1-ylsulfonylbenzoate Openeye Name: (1-propyltetrazol-5-yl)methyl 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic 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)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCCN1C(=NN=N1)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C17H23N5O4S/c1-2-9-22-16(18-19-20-22)13-26-17(23)14-7-6-8-15(12-14)27(24,25)21-10-4-3-5-11-21/h6-8,12H,2-5,9-11,13H2,1H3