N-(2-cyanoethyl)-N-(2-fluorophenyl)-4-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-4-(1-piperidylsulfonyl)benzamide CAS Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-4-piperidin-1-ylsulfonylbenzamide Traditional Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-4-piperidinosulfonyl-benzamide Formula: C21H22FN3O3S MolecularWeight: 415.481083

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(CCC#N)C3=CC=CC=C3F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(CCC#N)C3=CC=CC=C3F

InChI

InChI=1S/C21H22FN3O3S/c22-19-7-2-3-8-20(19)25(16-6-13-23)21(26)17-9-11-18(12-10-17)29(27,28)24-14-4-1-5-15-24/h2-3,7-12H,1,4-6,14-16H2