N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide

Systemtic Name: N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide Openeye Name: N-(2-cyanoethyl)-N-(3-pyridylmethyl)-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide CAS Name: N-(2-cyanoethyl)-N-(3-pyridinylmethyl)-4-(1-pyrrolidinylsulfonyl)benzenesulfonamide IUPAC Name: N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide Traditional Name: N-(2-cyanoethyl)-N-(3-pyridylmethyl)-4-pyrrolidinosulfonyl-benzenesulfonamide Formula: C19H22N4O4S2 MolecularWeight: 434.53238

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N(CCC#N)CC3=CN=CC=C3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N(CCC#N)CC3=CN=CC=C3

InChI

InChI=1S/C19H22N4O4S2/c20-10-4-14-23(16-17-5-3-11-21-15-17)29(26,27)19-8-6-18(7-9-19)28(24,25)22-12-1-2-13-22/h3,5-9,11,15H,1-2,4,12-14,16H2