1-adamantyl 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: 1-adamantyl 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: 1-adamantyl 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid 1-adamantyl ester IUPAC Name: 1-adamantyl 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid 1-adamantyl ester Formula: C22H28ClNO4S MolecularWeight: 437.98002

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC34CC5CC(C3)CC(C5)C4)Cl

InChI

InChI=1S/C22H28ClNO4S/c23-19-5-4-18(11-20(19)29(26,27)24-6-2-1-3-7-24)21(25)28-22-12-15-8-16(13-22)10-17(9-15)14-22/h4-5,11,15-17H,1-3,6-10,12-14H2