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

Systemtic Name: phenethyl 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: phenethyl 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid phenethyl ester IUPAC Name: phenethyl 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid phenethyl ester Formula: C19H20ClNO4S MolecularWeight: 393.8844

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCC3=CC=CC=C3)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCC3=CC=CC=C3)Cl

InChI

InChI=1S/C19H20ClNO4S/c20-17-9-8-16(14-18(17)26(23,24)21-11-4-5-12-21)19(22)25-13-10-15-6-2-1-3-7-15/h1-3,6-9,14H,4-5,10-13H2