1-[(2,5-dimethyl-4-piperidin-1-ylcarbonyl-1H-pyrrol-3-yl)sulfonyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2,5-dimethyl-4-piperidin-1-ylcarbonyl-1H-pyrrol-3-yl)sulfonyl]piperidine-4-carboxylic acid Openeye Name: 1-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-4-carboxylic acid CAS Name: 1-[[2,5-dimethyl-4-[oxo(1-piperidinyl)methyl]-1H-pyrrol-3-yl]sulfonyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-4-carboxylic acid Traditional Name: 1-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]isonipecotic acid Formula: C18H27N3O5S MolecularWeight: 397.48908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1)C)S(=O)(=O)N2CCC(CC2)C(=O)O)C(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C(=C(N1)C)S(=O)(=O)N2CCC(CC2)C(=O)O)C(=O)N3CCCCC3

InChI

InChI=1S/C18H27N3O5S/c1-12-15(17(22)20-8-4-3-5-9-20)16(13(2)19-12)27(25,26)21-10-6-14(7-11-21)18(23)24/h14,19H,3-11H2,1-2H3,(H,23,24)