(2S)-2-benzamido-5-[4-(3-bromanyl-4-methoxy-phenyl)sulfonylpiperazin-1-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-benzamido-5-[4-(3-bromanyl-4-methoxy-phenyl)sulfonylpiperazin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-benzamido-5-[4-(3-bromo-4-methoxy-phenyl)sulfonylpiperazin-1-yl]-5-oxo-pentanoic acid CAS Name: (2S)-2-benzamido-5-[4-(3-bromo-4-methoxyphenyl)sulfonyl-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: (2S)-2-benzamido-5-[4-(3-bromo-4-methoxyphenyl)sulfonylpiperazin-1-yl]-5-oxopentanoic acid Traditional Name: (2S)-2-benzamido-5-[4-(3-bromo-4-methoxy-phenyl)sulfonylpiperazino]-5-keto-valeric acid Formula: C23H26BrN3O7S MolecularWeight: 568.43744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(C(=O)O)NC(=O)C3=CC=CC=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC[C@@H](C(=O)O)NC(=O)C3=CC=CC=C3)Br

InChI

InChI=1S/C23H26BrN3O7S/c1-34-20-9-7-17(15-18(20)24)35(32,33)27-13-11-26(12-14-27)21(28)10-8-19(23(30)31)25-22(29)16-5-3-2-4-6-16/h2-7,9,15,19H,8,10-14H2,1H3,(H,25,29)(H,30,31)/t19-/m0/s1