1-[(5-piperidin-1-ylcarbonyl-1H-pyrrol-3-yl)sulfonyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(5-piperidin-1-ylcarbonyl-1H-pyrrol-3-yl)sulfonyl]piperidine-3-carboxylic acid Openeye Name: 1-[[5-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxylic acid CAS Name: 1-[[5-[oxo(1-piperidinyl)methyl]-1H-pyrrol-3-yl]sulfonyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[[5-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxylic acid Traditional Name: 1-[[5-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]nipecotic acid Formula: C16H23N3O5S MolecularWeight: 369.43592

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC(=CN2)S(=O)(=O)N3CCCC(C3)C(=O)O

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC(=CN2)S(=O)(=O)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C16H23N3O5S/c20-15(18-6-2-1-3-7-18)14-9-13(10-17-14)25(23,24)19-8-4-5-12(11-19)16(21)22/h9-10,12,17H,1-8,11H2,(H,21,22)