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

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: (1-propyltetrazol-5-yl)methyl 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid (1-propyltetrazol-5-yl)methyl ester Formula: C19H27N5O4S MolecularWeight: 421.51378

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCCN1C(=NN=N1)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H27N5O4S/c1-2-12-24-18(20-21-22-24)15-28-19(25)11-8-16-6-9-17(10-7-16)29(26,27)23-13-4-3-5-14-23/h6-7,9-10H,2-5,8,11-15H2,1H3