2-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]acetic acid CAS Name: 2-[4-[(1-methyl-3-pyrrolyl)sulfonyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]acetic acid Traditional Name: 2-[4-(1-methylpyrrol-3-yl)sulfonylpiperazino]acetic acid Formula: C11H17N3O4S MolecularWeight: 287.33538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=C1)S(=O)(=O)N2CCN(CC2)CC(=O)O

Isomeric SMILES

CN1C=CC(=C1)S(=O)(=O)N2CCN(CC2)CC(=O)O

InChI

InChI=1S/C11H17N3O4S/c1-12-3-2-10(8-12)19(17,18)14-6-4-13(5-7-14)9-11(15)16/h2-3,8H,4-7,9H2,1H3,(H,15,16)