methyl (2S)-4-methyl-2-[3-[4-(phenylmethyl)piperazin-1-yl]propylsulfonylamino]pentanoate

Systemtic Name: methyl (2S)-4-methyl-2-[3-[4-(phenylmethyl)piperazin-1-yl]propylsulfonylamino]pentanoate Openeye Name: methyl (2S)-2-[3-(4-benzylpiperazin-1-yl)propylsulfonylamino]-4-methyl-pentanoate CAS Name: (2S)-4-methyl-2-[3-[4-(phenylmethyl)-1-piperazinyl]propylsulfonylamino]pentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[3-(4-benzylpiperazin-1-yl)propylsulfonylamino]-4-methylpentanoate Traditional Name: (2S)-2-[3-(4-benzylpiperazino)propylsulfonylamino]-4-methyl-valeric acid methyl ester Formula: C21H35N3O4S MolecularWeight: 425.5853

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NS(=O)(=O)CCCN1CCN(CC1)CC2=CC=CC=C2

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)NS(=O)(=O)CCCN1CCN(CC1)CC2=CC=CC=C2

InChI

InChI=1S/C21H35N3O4S/c1-18(2)16-20(21(25)28-3)22-29(26,27)15-7-10-23-11-13-24(14-12-23)17-19-8-5-4-6-9-19/h4-6,8-9,18,20,22H,7,10-17H2,1-3H3/t20-/m0/s1