1-methyl-4-(4-propan-2-ylpiperazin-1-yl)sulfonyl-pyrrole-2-carboxylic acid

Systemtic Name: 1-methyl-4-(4-propan-2-ylpiperazin-1-yl)sulfonyl-pyrrole-2-carboxylic acid Openeye Name: 4-(4-isopropylpiperazin-1-yl)sulfonyl-1-methyl-pyrrole-2-carboxylic acid CAS Name: 1-methyl-4-[(4-propan-2-yl-1-piperazinyl)sulfonyl]-2-pyrrolecarboxylic acid IUPAC Name: 1-methyl-4-(4-propan-2-ylpiperazin-1-yl)sulfonylpyrrole-2-carboxylic acid Traditional Name: 4-(4-isopropylpiperazino)sulfonyl-1-methyl-pyrrole-2-carboxylic acid Formula: C13H21N3O4S MolecularWeight: 315.38854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)S(=O)(=O)C2=CN(C(=C2)C(=O)O)C

Isomeric SMILES

CC(C)N1CCN(CC1)S(=O)(=O)C2=CN(C(=C2)C(=O)O)C

InChI

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