N-(3-chloranyl-4-cyano-phenyl)-2-methyl-5-[(2R)-2-methylpiperidin-1-yl]sulfonyl-benzamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-methyl-5-[(2R)-2-methylpiperidin-1-yl]sulfonyl-benzamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-methyl-5-[[(2R)-2-methyl-1-piperidyl]sulfonyl]benzamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-methyl-5-[[(2R)-2-methyl-1-piperidinyl]sulfonyl]benzamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-methyl-5-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-methyl-5-[(2R)-2-methylpiperidino]sulfonyl-benzamide Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)NC3=CC(=C(C=C3)C#N)Cl

Isomeric SMILES

C[C@@H]1CCCCN1S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)NC3=CC(=C(C=C3)C#N)Cl

InChI

InChI=1S/C21H22ClN3O3S/c1-14-6-9-18(29(27,28)25-10-4-3-5-15(25)2)12-19(14)21(26)24-17-8-7-16(13-23)20(22)11-17/h6-9,11-12,15H,3-5,10H2,1-2H3,(H,24,26)/t15-/m1/s1