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

Systemtic Name: phenethyl 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: phenethyl 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid phenethyl ester IUPAC Name: phenethyl 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-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=C(C=CC(=C2)C(=O)OCCC3=CC=CC=C3)Cl

Isomeric SMILES

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

InChI

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