3-cyanopropyl 5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-yl-benzoate

Systemtic Name: 3-cyanopropyl 5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-yl-benzoate Openeye Name: 3-cyanopropyl 5-(1-piperidylsulfonyl)-2-pyrrolidin-1-yl-benzoate CAS Name: 5-(1-piperidinylsulfonyl)-2-(1-pyrrolidinyl)benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-piperidinosulfonyl-2-pyrrolidino-benzoic acid 3-cyanopropyl ester Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCC3)C(=O)OCCCC#N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCC3)C(=O)OCCCC#N

InChI

InChI=1S/C20H27N3O4S/c21-10-2-7-15-27-20(24)18-16-17(8-9-19(18)22-11-5-6-12-22)28(25,26)23-13-3-1-4-14-23/h8-9,16H,1-7,11-15H2