2-chloranyl-N-(2-cyanoethyl)-N-phenyl-5-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-(2-cyanoethyl)-N-phenyl-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: 2-chloro-N-(2-cyanoethyl)-N-phenyl-5-(1-piperidylsulfonyl)benzamide CAS Name: 2-chloro-N-(2-cyanoethyl)-N-phenyl-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: 2-chloro-N-(2-cyanoethyl)-N-phenyl-5-piperidin-1-ylsulfonylbenzamide Traditional Name: 2-chloro-N-(2-cyanoethyl)-N-phenyl-5-piperidinosulfonyl-benzamide Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N(CCC#N)C3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N(CCC#N)C3=CC=CC=C3

InChI

InChI=1S/C21H22ClN3O3S/c22-20-11-10-18(29(27,28)24-13-5-2-6-14-24)16-19(20)21(26)25(15-7-12-23)17-8-3-1-4-9-17/h1,3-4,8-11,16H,2,5-7,13-15H2