2-[[4-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonylamino)phenyl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[4-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonylamino)phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-(4,5,6,7-tetrahydrobenzothiophene-2-carbonylamino)phenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-[[oxo(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]amino]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-(4,5,6,7-tetrahydrobenzothiophene-2-carbonylamino)phenyl]sulfonylamino]acetic acid Formula: C17H18N2O5S2 MolecularWeight: 394.46522

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NCC(=O)O

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NCC(=O)O

InChI

InChI=1S/C17H18N2O5S2/c20-16(21)10-18-26(23,24)13-7-5-12(6-8-13)19-17(22)15-9-11-3-1-2-4-14(11)25-15/h5-9,18H,1-4,10H2,(H,19,22)(H,20,21)