pyridin-2-ylmethyl 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: pyridin-2-ylmethyl 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: 2-pyridylmethyl 4-(1-piperidyl)-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinyl)-3-(1-piperidinylsulfonyl)benzoic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidino-3-piperidinosulfonyl-benzoic acid 2-pyridylmethyl ester Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=CC=CC=N3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=CC=CC=N3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C23H29N3O4S/c27-23(30-18-20-9-3-4-12-24-20)19-10-11-21(25-13-5-1-6-14-25)22(17-19)31(28,29)26-15-7-2-8-16-26/h3-4,9-12,17H,1-2,5-8,13-16,18H2