2-[4-(4-methanoyl-3-methyl-phenyl)piperazin-1-yl]ethanesulfonic acid

Systemtic Name: 2-[4-(4-methanoyl-3-methyl-phenyl)piperazin-1-yl]ethanesulfonic acid Openeye Name: 2-[4-(4-formyl-3-methyl-phenyl)piperazin-1-yl]ethanesulfonic acid CAS Name: 2-[4-(4-formyl-3-methylphenyl)-1-piperazinyl]ethanesulfonic acid IUPAC Name: 2-[4-(4-formyl-3-methylphenyl)piperazin-1-yl]ethanesulfonic acid Traditional Name: 2-[4-(4-formyl-3-methyl-phenyl)piperazino]ethanesulfonic acid Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCN(CC2)CCS(=O)(=O)O)C=O

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCN(CC2)CCS(=O)(=O)O)C=O

InChI

InChI=1S/C14H20N2O4S/c1-12-10-14(3-2-13(12)11-17)16-6-4-15(5-7-16)8-9-21(18,19)20/h2-3,10-11H,4-9H2,1H3,(H,18,19,20)