4-ethanoyl-1-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-3-methyl-piperazine-2-carboxylic acid

Systemtic Name: 4-ethanoyl-1-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-3-methyl-piperazine-2-carboxylic acid Openeye Name: 4-acetyl-1-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-3-methyl-piperazine-2-carboxylic acid CAS Name: 4-acetyl-1-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-3-methyl-2-piperazinecarboxylic acid IUPAC Name: 4-acetyl-1-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-3-methylpiperazine-2-carboxylic acid Traditional Name: 4-acetyl-1-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-3-methyl-piperazine-2-carboxylic acid Formula: C19H24N2O7S MolecularWeight: 424.46806

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(CCN1C(=O)C)S(=O)(=O)C2=CC=C(C=C2)OCC#CCOC)C(=O)O

Isomeric SMILES

CC1C(N(CCN1C(=O)C)S(=O)(=O)C2=CC=C(C=C2)OCC#CCOC)C(=O)O

InChI

InChI=1S/C19H24N2O7S/c1-14-18(19(23)24)21(11-10-20(14)15(2)22)29(25,26)17-8-6-16(7-9-17)28-13-5-4-12-27-3/h6-9,14,18H,10-13H2,1-3H3,(H,23,24)