N-(3-chloranyl-4-cyano-phenyl)-4-(3,5-dimethylpiperidin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-4-(3,5-dimethylpiperidin-1-yl)sulfonyl-benzamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-4-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzamide CAS Name: N-(3-chloro-4-cyanophenyl)-4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-4-(3,5-dimethylpiperidino)sulfonyl-benzamide Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)C#N)Cl)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)C#N)Cl)C

InChI

InChI=1S/C21H22ClN3O3S/c1-14-9-15(2)13-25(12-14)29(27,28)19-7-4-16(5-8-19)21(26)24-18-6-3-17(11-23)20(22)10-18/h3-8,10,14-15H,9,12-13H2,1-2H3,(H,24,26)