3-cyanopropyl 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: 3-cyanopropyl 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: 3-cyanopropyl 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid 3-cyanopropyl ester Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCCCC#N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCCCC#N

InChI

InChI=1S/C15H18N2O4S/c16-9-1-4-12-21-15(18)13-5-7-14(8-6-13)22(19,20)17-10-2-3-11-17/h5-8H,1-4,10-12H2