2-chloranyl-N-[4-(cyanomethyl)phenyl]-5-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-[4-(cyanomethyl)phenyl]-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: 2-chloro-N-[4-(cyanomethyl)phenyl]-5-(1-piperidylsulfonyl)benzamide CAS Name: 2-chloro-N-[4-(cyanomethyl)phenyl]-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: 2-chloro-N-[4-(cyanomethyl)phenyl]-5-piperidin-1-ylsulfonylbenzamide Traditional Name: 2-chloro-N-[4-(cyanomethyl)phenyl]-5-piperidinosulfonyl-benzamide Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C20H20ClN3O3S/c21-19-9-8-17(28(26,27)24-12-2-1-3-13-24)14-18(19)20(25)23-16-6-4-15(5-7-16)10-11-22/h4-9,14H,1-3,10,12-13H2,(H,23,25)