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

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: (1-butyltetrazol-5-yl)methyl 2-morpholino-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-(4-morpholinyl)-5-(1-piperidinylsulfonyl)benzoic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-morpholino-5-piperidinosulfonyl-benzoic acid (1-butyltetrazol-5-yl)methyl ester Formula: C22H32N6O5S MolecularWeight: 492.59168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCOCC4

Isomeric SMILES

CCCCN1C(=NN=N1)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCOCC4

InChI

InChI=1S/C22H32N6O5S/c1-2-3-11-28-21(23-24-25-28)17-33-22(29)19-16-18(34(30,31)27-9-5-4-6-10-27)7-8-20(19)26-12-14-32-15-13-26/h7-8,16H,2-6,9-15,17H2,1H3