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

Systemtic Name: (2S)-2-benzamido-5-oxidanylidene-5-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pentanoic acid Openeye Name: (2S)-2-benzamido-5-oxo-5-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pentanoic acid CAS Name: (2S)-2-benzamido-5-oxo-5-[4-(2,4,5-trimethylphenyl)sulfonyl-1-piperazinyl]pentanoic acid IUPAC Name: (2S)-2-benzamido-5-oxo-5-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pentanoic acid Traditional Name: (2S)-2-benzamido-5-keto-5-[4-(2,4,5-trimethylphenyl)sulfonylpiperazino]valeric acid Formula: C25H31N3O6S MolecularWeight: 501.59514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)S(=O)(=O)N2CCN(CC2)C(=O)CCC(C(=O)O)NC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1C)S(=O)(=O)N2CCN(CC2)C(=O)CC[C@@H](C(=O)O)NC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C25H31N3O6S/c1-17-15-19(3)22(16-18(17)2)35(33,34)28-13-11-27(12-14-28)23(29)10-9-21(25(31)32)26-24(30)20-7-5-4-6-8-20/h4-8,15-16,21H,9-14H2,1-3H3,(H,26,30)(H,31,32)/t21-/m0/s1