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

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: (1-propyltetrazol-5-yl)methyl 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid (1-propyltetrazol-5-yl)methyl ester Formula: C18H25N5O4S MolecularWeight: 407.4872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N5O4S/c1-3-9-23-17(19-20-21-23)13-27-18(24)16-12-15(8-7-14(16)2)28(25,26)22-10-5-4-6-11-22/h7-8,12H,3-6,9-11,13H2,1-2H3