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

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-benzamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-3-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzamide CAS Name: N-(3-chloro-4-cyanophenyl)-3-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-3-(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=CC(=C2)C(=O)NC3=CC(=C(C=C3)C#N)Cl)C

Isomeric SMILES

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

InChI

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