N-(2-chloranyl-5-methylsulfonyl-phenyl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]ethanamide

Systemtic Name: N-(2-chloranyl-5-methylsulfonyl-phenyl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]ethanamide Openeye Name: N-(2-chloro-5-methylsulfonyl-phenyl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]acetamide CAS Name: N-(2-chloro-5-methylsulfonylphenyl)-2-[4-[(4-cyanophenyl)methyl]-1-piperazinyl]acetamide IUPAC Name: N-(2-chloro-5-methylsulfonylphenyl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]acetamide Traditional Name: N-(2-chloro-5-mesyl-phenyl)-2-[4-(4-cyanobenzyl)piperazino]acetamide Formula: C21H23ClN4O3S MolecularWeight: 446.95032

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H23ClN4O3S/c1-30(28,29)18-6-7-19(22)20(12-18)24-21(27)15-26-10-8-25(9-11-26)14-17-4-2-16(13-23)3-5-17/h2-7,12H,8-11,14-15H2,1H3,(H,24,27)