1-(4-butoxyphenyl)sulfonyl-3-pyrrolidin-1-ylcarbonyl-piperidine-2-carboxylic acid

Systemtic Name: 1-(4-butoxyphenyl)sulfonyl-3-pyrrolidin-1-ylcarbonyl-piperidine-2-carboxylic acid Openeye Name: 1-(4-butoxyphenyl)sulfonyl-3-(pyrrolidine-1-carbonyl)piperidine-2-carboxylic acid CAS Name: 1-(4-butoxyphenyl)sulfonyl-3-[oxo(1-pyrrolidinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-(4-butoxyphenyl)sulfonyl-3-(pyrrolidine-1-carbonyl)piperidine-2-carboxylic acid Traditional Name: 1-(4-butoxyphenyl)sulfonyl-3-(pyrrolidine-1-carbonyl)pipecolinic acid Formula: C21H30N2O6S MolecularWeight: 438.5377

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2C(=O)O)C(=O)N3CCCC3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2C(=O)O)C(=O)N3CCCC3

InChI

InChI=1S/C21H30N2O6S/c1-2-3-15-29-16-8-10-17(11-9-16)30(27,28)23-14-6-7-18(19(23)21(25)26)20(24)22-12-4-5-13-22/h8-11,18-19H,2-7,12-15H2,1H3,(H,25,26)