4-(3-methylpiperidin-1-yl)sulfonyl-1-propan-2-yl-pyrrole-2-carboxylic acid

Systemtic Name: 4-(3-methylpiperidin-1-yl)sulfonyl-1-propan-2-yl-pyrrole-2-carboxylic acid Openeye Name: 1-isopropyl-4-[(3-methyl-1-piperidyl)sulfonyl]pyrrole-2-carboxylic acid CAS Name: 4-[(3-methyl-1-piperidinyl)sulfonyl]-1-propan-2-yl-2-pyrrolecarboxylic acid IUPAC Name: 4-(3-methylpiperidin-1-yl)sulfonyl-1-propan-2-ylpyrrole-2-carboxylic acid Traditional Name: 1-isopropyl-4-(3-methylpiperidino)sulfonyl-pyrrole-2-carboxylic acid Formula: C14H22N2O4S MolecularWeight: 314.40048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O4S/c1-10(2)16-9-12(7-13(16)14(17)18)21(19,20)15-6-4-5-11(3)8-15/h7,9-11H,4-6,8H2,1-3H3,(H,17,18)