2-(aminomethyl)-4-(1-benzothiophen-2-ylsulfonylamino)butanoic acid

Systemtic Name: 2-(aminomethyl)-4-(1-benzothiophen-2-ylsulfonylamino)butanoic acid Openeye Name: 2-(aminomethyl)-4-(benzothiophen-2-ylsulfonylamino)butanoic acid CAS Name: 2-(aminomethyl)-4-(1-benzothiophen-2-ylsulfonylamino)butanoic acid IUPAC Name: 2-(aminomethyl)-4-(1-benzothiophen-2-ylsulfonylamino)butanoic acid Traditional Name: 2-(aminomethyl)-4-(benzothiophen-2-ylsulfonylamino)butyric acid Formula: C13H16N2O4S2 MolecularWeight: 328.40714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(S2)S(=O)(=O)NCCC(CN)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(S2)S(=O)(=O)NCCC(CN)C(=O)O

InChI

InChI=1S/C13H16N2O4S2/c14-8-10(13(16)17)5-6-15-21(18,19)12-7-9-3-1-2-4-11(9)20-12/h1-4,7,10,15H,5-6,8,14H2,(H,16,17)