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

Systemtic Name: 3-phenylpropyl 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: 3-phenylpropyl 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid 3-phenylpropyl ester Formula: C20H22ClNO4S MolecularWeight: 407.91098

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCCC3=CC=CC=C3)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCCC3=CC=CC=C3)Cl

InChI

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