methyl 2-[[4-(phenylmethyl)-1-(phenylsulfonylcarbamoyl)piperazin-2-yl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[4-(phenylmethyl)-1-(phenylsulfonylcarbamoyl)piperazin-2-yl]carbonylamino]ethanoate Openeye Name: methyl 2-[[1-(benzenesulfonylcarbamoyl)-4-benzyl-piperazine-2-carbonyl]amino]acetate CAS Name: 2-[[[1-[benzenesulfonamido(oxo)methyl]-4-(phenylmethyl)-2-piperazinyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[1-(benzenesulfonylcarbamoyl)-4-benzylpiperazine-2-carbonyl]amino]acetate Traditional Name: 2-[[4-benzyl-1-(besylcarbamoyl)piperazine-2-carbonyl]amino]acetic acid methyl ester Formula: C22H26N4O6S MolecularWeight: 474.53004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)C1CN(CCN1C(=O)NS(=O)(=O)C2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)CNC(=O)C1CN(CCN1C(=O)NS(=O)(=O)C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H26N4O6S/c1-32-20(27)14-23-21(28)19-16-25(15-17-8-4-2-5-9-17)12-13-26(19)22(29)24-33(30,31)18-10-6-3-7-11-18/h2-11,19H,12-16H2,1H3,(H,23,28)(H,24,29)