1-[4-(azepan-1-ylcarbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[4-(azepan-1-ylcarbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-[[4-(azepane-1-carbonyl)-2-thienyl]sulfonyl]piperidine-4-carboxylic acid CAS Name: 1-[[4-[1-azepanyl(oxo)methyl]-2-thiophenyl]sulfonyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-(azepane-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-[[4-(azepane-1-carbonyl)-2-thienyl]sulfonyl]isonipecotic acid Formula: C17H24N2O5S2 MolecularWeight: 400.51286

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CSC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CSC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C17H24N2O5S2/c20-16(18-7-3-1-2-4-8-18)14-11-15(25-12-14)26(23,24)19-9-5-13(6-10-19)17(21)22/h11-13H,1-10H2,(H,21,22)