5-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]thiophene-3-carboxylic acid

Systemtic Name: 5-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]thiophene-3-carboxylic acid Openeye Name: 5-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]thiophene-3-carboxylic acid CAS Name: 5-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]-3-thiophenecarboxylic acid IUPAC Name: 5-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]thiophene-3-carboxylic acid Traditional Name: 5-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]-3-thenoic acid Formula: C16H17FN2O6S3 MolecularWeight: 448.509383

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC(=CS2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC(=CS2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C16H17FN2O6S3/c17-13-2-4-14(5-3-13)27(22,23)18-6-1-7-19(9-8-18)28(24,25)15-10-12(11-26-15)16(20)21/h2-5,10-11H,1,6-9H2,(H,20,21)