3-cyanopropyl 4-piperidin-1-ylsulfonylbenzoate

Systemtic Name: 3-cyanopropyl 4-piperidin-1-ylsulfonylbenzoate Openeye Name: 3-cyanopropyl 4-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinylsulfonyl)benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 4-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidinosulfonylbenzoic acid 3-cyanopropyl ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCCCC#N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCCCC#N

InChI

InChI=1S/C16H20N2O4S/c17-10-2-5-13-22-16(19)14-6-8-15(9-7-14)23(20,21)18-11-3-1-4-12-18/h6-9H,1-5,11-13H2