(3R)-3-[[4-(thiophen-2-ylsulfonylamino)phenyl]carbonylamino]-4-(trimethylazaniumyl)butanoate

Systemtic Name: (3R)-3-[[4-(thiophen-2-ylsulfonylamino)phenyl]carbonylamino]-4-(trimethylazaniumyl)butanoate Openeye Name: (3R)-3-[[4-(2-thienylsulfonylamino)benzoyl]amino]-4-(trimethylammonio)butanoate CAS Name: (3R)-3-[[oxo-[4-(thiophen-2-ylsulfonylamino)phenyl]methyl]amino]-4-(trimethylammonio)butanoate IUPAC Name: (3R)-3-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]-4-(trimethylazaniumyl)butanoate Traditional Name: (3R)-3-[[4-(2-thienylsulfonylamino)benzoyl]amino]-4-(trimethylammonio)butyrate Formula: C18H23N3O5S2 MolecularWeight: 425.52232

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)[O-])NC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CS2

Isomeric SMILES

C[N+](C)(C)C[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C18H23N3O5S2/c1-21(2,3)12-15(11-16(22)23)19-18(24)13-6-8-14(9-7-13)20-28(25,26)17-5-4-10-27-17/h4-10,15H,11-12H2,1-3H3,(H2-,19,20,22,23,24)/t15-/m1/s1