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

Systemtic Name: 1-[(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)sulfonyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)sulfonyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)sulfonyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)sulfonyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-carbethoxy-2,5-dimethyl-1H-pyrrol-3-yl)sulfonyl]nipecotic acid Formula: C15H22N2O6S MolecularWeight: 358.40998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1S(=O)(=O)N2CCCC(C2)C(=O)O)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1S(=O)(=O)N2CCCC(C2)C(=O)O)C)C

InChI

InChI=1S/C15H22N2O6S/c1-4-23-15(20)12-9(2)16-10(3)13(12)24(21,22)17-7-5-6-11(8-17)14(18)19/h11,16H,4-8H2,1-3H3,(H,18,19)