1-methyl-4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-pyrrole-2-carboxylic acid

Systemtic Name: 1-methyl-4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-pyrrole-2-carboxylic acid Openeye Name: 1-methyl-4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]pyrrole-2-carboxylic acid CAS Name: 1-methyl-4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-pyrrolecarboxylic acid IUPAC Name: 1-methyl-4-[(3S)-3-methylpiperidin-1-yl]sulfonylpyrrole-2-carboxylic acid Traditional Name: 1-methyl-4-[(3S)-3-methylpiperidino]sulfonyl-pyrrole-2-carboxylic acid Formula: C12H18N2O4S MolecularWeight: 286.34732

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CN(C(=C2)C(=O)O)C

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CN(C(=C2)C(=O)O)C

InChI

InChI=1S/C12H18N2O4S/c1-9-4-3-5-14(7-9)19(17,18)10-6-11(12(15)16)13(2)8-10/h6,8-9H,3-5,7H2,1-2H3,(H,15,16)/t9-/m0/s1