(phenylmethyl) N-[(2S)-1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-2-[4-(benzenesulfonyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-[4-(benzenesulfonyl)-1-piperazinyl]-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-(4-besylpiperazino)-2-keto-1-methyl-ethyl]carbamic acid benzyl ester Formula: C21H25N3O5S MolecularWeight: 431.5053

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O5S/c1-17(22-21(26)29-16-18-8-4-2-5-9-18)20(25)23-12-14-24(15-13-23)30(27,28)19-10-6-3-7-11-19/h2-11,17H,12-16H2,1H3,(H,22,26)/t17-/m0/s1