(2S)-2-[[4-chloranyl-2-(quinoxalin-5-ylsulfonylamino)phenyl]carbonylamino]-3-thiophen-3-yl-propanoic acid

Systemtic Name: (2S)-2-[[4-chloranyl-2-(quinoxalin-5-ylsulfonylamino)phenyl]carbonylamino]-3-thiophen-3-yl-propanoic acid Openeye Name: (2S)-2-[[4-chloro-2-(quinoxalin-5-ylsulfonylamino)benzoyl]amino]-3-(3-thienyl)propanoic acid CAS Name: (2S)-2-[[[4-chloro-2-(5-quinoxalinylsulfonylamino)phenyl]-oxomethyl]amino]-3-(3-thiophenyl)propanoic acid IUPAC Name: (2S)-2-[[4-chloro-2-(quinoxalin-5-ylsulfonylamino)benzoyl]amino]-3-thiophen-3-ylpropanoic acid Traditional Name: (2S)-2-[[4-chloro-2-(quinoxalin-5-ylsulfonylamino)benzoyl]amino]-3-(3-thienyl)propionic acid Formula: C22H17ClN4O5S2 MolecularWeight: 516.97718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC=CN=C2C(=C1)S(=O)(=O)NC3=C(C=CC(=C3)Cl)C(=O)NC(CC4=CSC=C4)C(=O)O

Isomeric SMILES

C1=CC2=NC=CN=C2C(=C1)S(=O)(=O)NC3=C(C=CC(=C3)Cl)C(=O)N[C@@H](CC4=CSC=C4)C(=O)O

InChI

InChI=1S/C22H17ClN4O5S2/c23-14-4-5-15(21(28)26-18(22(29)30)10-13-6-9-33-12-13)17(11-14)27-34(31,32)19-3-1-2-16-20(19)25-8-7-24-16/h1-9,11-12,18,27H,10H2,(H,26,28)(H,29,30)/t18-/m0/s1