1-(4-but-2-ynoxyphenyl)sulfonyl-4-ethanoyl-3-methyl-piperazine-2-carboxylic acid

Systemtic Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-4-ethanoyl-3-methyl-piperazine-2-carboxylic acid Openeye Name: 4-acetyl-1-(4-but-2-ynoxyphenyl)sulfonyl-3-methyl-piperazine-2-carboxylic acid CAS Name: 4-acetyl-1-(4-but-2-ynoxyphenyl)sulfonyl-3-methyl-2-piperazinecarboxylic acid IUPAC Name: 4-acetyl-1-(4-but-2-ynoxyphenyl)sulfonyl-3-methylpiperazine-2-carboxylic acid Traditional Name: 4-acetyl-1-(4-but-2-ynoxyphenyl)sulfonyl-3-methyl-piperazine-2-carboxylic acid Formula: C18H22N2O6S MolecularWeight: 394.44208

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(C(C2C(=O)O)C)C(=O)C

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(C(C2C(=O)O)C)C(=O)C

InChI

InChI=1S/C18H22N2O6S/c1-4-5-12-26-15-6-8-16(9-7-15)27(24,25)20-11-10-19(14(3)21)13(2)17(20)18(22)23/h6-9,13,17H,10-12H2,1-3H3,(H,22,23)