4-(4-but-2-ynoxyphenyl)sulfonyl-2-methyl-piperazine-1,3-dicarboxylic acid

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-2-methyl-piperazine-1,3-dicarboxylic acid Openeye Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-2-methyl-piperazine-1,3-dicarboxylic acid CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-2-methylpiperazine-1,3-dicarboxylic acid IUPAC Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-2-methylpiperazine-1,3-dicarboxylic acid Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-2-methyl-piperazine-1,3-dicarboxylic acid Formula: C17H20N2O7S MolecularWeight: 396.4149

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O7S/c1-3-4-11-26-13-5-7-14(8-6-13)27(24,25)19-10-9-18(17(22)23)12(2)15(19)16(20)21/h5-8,12,15H,9-11H2,1-2H3,(H,20,21)(H,22,23)