(2S)-2-[(2-chloranyl-4-methylsulfonyl-phenyl)carbonylamino]-3-[2-(2-nitrophenyl)quinolin-6-yl]propanoic acid

Systemtic Name: (2S)-2-[(2-chloranyl-4-methylsulfonyl-phenyl)carbonylamino]-3-[2-(2-nitrophenyl)quinolin-6-yl]propanoic acid Openeye Name: (2S)-2-[(2-chloro-4-methylsulfonyl-benzoyl)amino]-3-[2-(2-nitrophenyl)-6-quinolyl]propanoic acid CAS Name: (2S)-2-[[(2-chloro-4-methylsulfonylphenyl)-oxomethyl]amino]-3-[2-(2-nitrophenyl)-6-quinolinyl]propanoic acid IUPAC Name: (2S)-2-[(2-chloro-4-methylsulfonylbenzoyl)amino]-3-[2-(2-nitrophenyl)quinolin-6-yl]propanoic acid Traditional Name: (2S)-2-[(2-chloro-4-mesyl-benzoyl)amino]-3-[2-(2-nitrophenyl)-6-quinolyl]propionic acid Formula: C26H20ClN3O7S MolecularWeight: 553.9709

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC(CC2=CC3=C(C=C2)N=C(C=C3)C4=CC=CC=C4[N+](=O)[O-])C(=O)O)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)N[C@@H](CC2=CC3=C(C=C2)N=C(C=C3)C4=CC=CC=C4[N+](=O)[O-])C(=O)O)Cl

InChI

InChI=1S/C26H20ClN3O7S/c1-38(36,37)17-8-9-18(20(27)14-17)25(31)29-23(26(32)33)13-15-6-10-21-16(12-15)7-11-22(28-21)19-4-2-3-5-24(19)30(34)35/h2-12,14,23H,13H2,1H3,(H,29,31)(H,32,33)/t23-/m0/s1