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

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

Isomeric SMILES

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

InChI

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