N-[4-(cyanomethyl)phenyl]-3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide Openeye Name: N-[4-(cyanomethyl)phenyl]-3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide CAS Name: N-[4-(cyanomethyl)phenyl]-3-[(4-ethylsulfonyl-1-piperazinyl)methyl]benzamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide Traditional Name: N-[4-(cyanomethyl)phenyl]-3-[(4-esylpiperazino)methyl]benzamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)CC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)CC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C22H26N4O3S/c1-2-30(28,29)26-14-12-25(13-15-26)17-19-4-3-5-20(16-19)22(27)24-21-8-6-18(7-9-21)10-11-23/h3-9,16H,2,10,12-15,17H2,1H3,(H,24,27)