(2S)-2-benzamido-5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-benzamido-5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-benzamido-5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-5-oxo-pentanoic acid CAS Name: (2S)-2-benzamido-5-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: (2S)-2-benzamido-5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-5-oxopentanoic acid Traditional Name: (2S)-2-benzamido-5-[4-(3,4-dimethylphenyl)sulfonylpiperazino]-5-keto-valeric acid Formula: C24H29N3O6S MolecularWeight: 487.56856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(C(=O)O)NC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC[C@@H](C(=O)O)NC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C24H29N3O6S/c1-17-8-9-20(16-18(17)2)34(32,33)27-14-12-26(13-15-27)22(28)11-10-21(24(30)31)25-23(29)19-6-4-3-5-7-19/h3-9,16,21H,10-15H2,1-2H3,(H,25,29)(H,30,31)/t21-/m0/s1