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

Systemtic Name: (5-methyl-1,2-oxazol-3-yl)methyl 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (5-methylisoxazol-3-yl)methyl 4-(1-piperidyl)-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinyl)-3-(1-piperidinylsulfonyl)benzoic acid (5-methyl-3-isoxazolyl)methyl ester IUPAC Name: (5-methyl-1,2-oxazol-3-yl)methyl 4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidino-3-piperidinosulfonyl-benzoic acid (5-methylisoxazol-3-yl)methyl ester Formula: C22H29N3O5S MolecularWeight: 447.54776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)COC(=O)C2=CC(=C(C=C2)N3CCCCC3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=CC(=NO1)COC(=O)C2=CC(=C(C=C2)N3CCCCC3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H29N3O5S/c1-17-14-19(23-30-17)16-29-22(26)18-8-9-20(24-10-4-2-5-11-24)21(15-18)31(27,28)25-12-6-3-7-13-25/h8-9,14-15H,2-7,10-13,16H2,1H3