N-(3-chloranyl-2,6-diethyl-phenyl)-2-[4-(phenylsulfonyl)piperazin-1-yl]ethanamide

Systemtic Name: N-(3-chloranyl-2,6-diethyl-phenyl)-2-[4-(phenylsulfonyl)piperazin-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-chloro-2,6-diethyl-phenyl)acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-N-(3-chloro-2,6-diethylphenyl)acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-chloro-2,6-diethylphenyl)acetamide Traditional Name: 2-(4-besylpiperazino)-N-(3-chloro-2,6-diethyl-phenyl)acetamide Formula: C22H28ClN3O3S MolecularWeight: 449.99402

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H28ClN3O3S/c1-3-17-10-11-20(23)19(4-2)22(17)24-21(27)16-25-12-14-26(15-13-25)30(28,29)18-8-6-5-7-9-18/h5-11H,3-4,12-16H2,1-2H3,(H,24,27)