pyridin-3-ylmethyl 2-piperidin-1-yl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: pyridin-3-ylmethyl 2-piperidin-1-yl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: 3-pyridylmethyl 2-(1-piperidyl)-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-(1-piperidinyl)-5-(1-piperidinylsulfonyl)benzoic acid 3-pyridinylmethyl ester IUPAC Name: pyridin-3-ylmethyl 2-piperidin-1-yl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-piperidino-5-piperidinosulfonyl-benzoic acid 3-pyridylmethyl ester Formula: C23H29N3O4S MolecularWeight: 443.55906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)C(=O)OCC4=CN=CC=C4

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)C(=O)OCC4=CN=CC=C4

InChI

InChI=1S/C23H29N3O4S/c27-23(30-18-19-8-7-11-24-17-19)21-16-20(31(28,29)26-14-5-2-6-15-26)9-10-22(21)25-12-3-1-4-13-25/h7-11,16-17H,1-6,12-15,18H2