3-phenylpropyl 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: 3-phenylpropyl 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: 3-phenylpropyl 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid 3-phenylpropyl ester Formula: C20H23NO4S MolecularWeight: 373.46592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO4S/c22-20(25-16-6-9-17-7-2-1-3-8-17)18-10-12-19(13-11-18)26(23,24)21-14-4-5-15-21/h1-3,7-8,10-13H,4-6,9,14-16H2