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

Systemtic Name: (2S)-2-benzamido-5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-benzamido-5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-5-oxo-pentanoic acid CAS Name: (2S)-2-benzamido-5-[4-(3,4-dichlorophenyl)sulfonyl-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: (2S)-2-benzamido-5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-5-oxopentanoic acid Traditional Name: (2S)-2-benzamido-5-[4-(3,4-dichlorophenyl)sulfonylpiperazino]-5-keto-valeric acid Formula: C22H23Cl2N3O6S MolecularWeight: 528.40552

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC(C(=O)O)NC(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1CN(CCN1C(=O)CC[C@@H](C(=O)O)NC(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H23Cl2N3O6S/c23-17-7-6-16(14-18(17)24)34(32,33)27-12-10-26(11-13-27)20(28)9-8-19(22(30)31)25-21(29)15-4-2-1-3-5-15/h1-7,14,19H,8-13H2,(H,25,29)(H,30,31)/t19-/m0/s1