2-chloranyl-N-[4-(cyanomethyl)phenyl]-5-(4-methylpiperidin-1-yl)sulfonyl-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C21H22ClN3O3S/c1-15-9-12-25(13-10-15)29(27,28)18-6-7-20(22)19(14-18)21(26)24-17-4-2-16(3-5-17)8-11-23/h2-7,14-15H,8-10,12-13H2,1H3,(H,24,26)