ethyl 2-[4-methylsulfonyl-3-[(phenylmethyl)carbamoyl]piperazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-methylsulfonyl-3-[(phenylmethyl)carbamoyl]piperazin-1-yl]ethanoate Openeye Name: ethyl 2-[3-(benzylcarbamoyl)-4-methylsulfonyl-piperazin-1-yl]acetate CAS Name: 2-[4-methylsulfonyl-3-[oxo-[(phenylmethyl)amino]methyl]-1-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(benzylcarbamoyl)-4-methylsulfonylpiperazin-1-yl]acetate Traditional Name: 2-[3-(benzylcarbamoyl)-4-mesyl-piperazino]acetic acid ethyl ester Formula: C17H25N3O5S MolecularWeight: 383.4625

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCN(C(C1)C(=O)NCC2=CC=CC=C2)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)CN1CCN(C(C1)C(=O)NCC2=CC=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C17H25N3O5S/c1-3-25-16(21)13-19-9-10-20(26(2,23)24)15(12-19)17(22)18-11-14-7-5-4-6-8-14/h4-8,15H,3,9-13H2,1-2H3,(H,18,22)