2-[4-[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-[2-(3-methylsulfonylanilino)-2-oxo-ethyl]piperazin-1-yl]acetamide CAS Name: 2-[4-[2-(3-methylsulfonylanilino)-2-oxoethyl]-1-piperazinyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-[2-(3-methylsulfonylanilino)-2-oxoethyl]piperazin-1-yl]acetamide Traditional Name: N-benzyl-2-[4-[2-keto-2-(3-mesylanilino)ethyl]piperazino]acetamide Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)CN2CCN(CC2)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)CN2CCN(CC2)CC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O4S/c1-31(29,30)20-9-5-8-19(14-20)24-22(28)17-26-12-10-25(11-13-26)16-21(27)23-15-18-6-3-2-4-7-18/h2-9,14H,10-13,15-17H2,1H3,(H,23,27)(H,24,28)