4-[4-(dimethylamino)piperidin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxylic acid

Systemtic Name: 4-[4-(dimethylamino)piperidin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxylic acid Openeye Name: 4-[[4-(dimethylamino)-1-piperidyl]sulfonyl]-1-methyl-pyrrole-2-carboxylic acid CAS Name: 4-[[4-(dimethylamino)-1-piperidinyl]sulfonyl]-1-methyl-2-pyrrolecarboxylic acid IUPAC Name: 4-[4-(dimethylamino)piperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylic acid Traditional Name: 4-[4-(dimethylamino)piperidino]sulfonyl-1-methyl-pyrrole-2-carboxylic acid Formula: C13H21N3O4S MolecularWeight: 315.38854

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)O)S(=O)(=O)N2CCC(CC2)N(C)C

Isomeric SMILES

CN1C=C(C=C1C(=O)O)S(=O)(=O)N2CCC(CC2)N(C)C

InChI

InChI=1S/C13H21N3O4S/c1-14(2)10-4-6-16(7-5-10)21(19,20)11-8-12(13(17)18)15(3)9-11/h8-10H,4-7H2,1-3H3,(H,17,18)