phenethyl 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: phenethyl 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: phenethyl 2-chloro-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-chloro-5-(1-piperidinylsulfonyl)benzoic acid phenethyl ester IUPAC Name: phenethyl 2-chloro-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-piperidinosulfonyl-benzoic acid phenethyl ester Formula: C20H22ClNO4S MolecularWeight: 407.91098

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCCC3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C20H22ClNO4S/c21-19-10-9-17(27(24,25)22-12-5-2-6-13-22)15-18(19)20(23)26-14-11-16-7-3-1-4-8-16/h1,3-4,7-10,15H,2,5-6,11-14H2