(2S)-2-benzamido-5-oxidanylidene-5-[4-(phenylsulfonyl)piperazin-1-yl]pentanoic acid

Systemtic Name: (2S)-2-benzamido-5-oxidanylidene-5-[4-(phenylsulfonyl)piperazin-1-yl]pentanoic acid Openeye Name: (2S)-2-benzamido-5-[4-(benzenesulfonyl)piperazin-1-yl]-5-oxo-pentanoic acid CAS Name: (2S)-2-benzamido-5-[4-(benzenesulfonyl)-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: (2S)-2-benzamido-5-[4-(benzenesulfonyl)piperazin-1-yl]-5-oxopentanoic acid Traditional Name: (2S)-2-benzamido-5-(4-besylpiperazino)-5-keto-valeric acid Formula: C22H25N3O6S MolecularWeight: 459.5154

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O6S/c26-20(12-11-19(22(28)29)23-21(27)17-7-3-1-4-8-17)24-13-15-25(16-14-24)32(30,31)18-9-5-2-6-10-18/h1-10,19H,11-16H2,(H,23,27)(H,28,29)/t19-/m0/s1