4-(4-but-2-ynoxyphenyl)sulfonylpiperazine-1,3-dicarboxylic acid

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonylpiperazine-1,3-dicarboxylic acid Openeye Name: 4-(4-but-2-ynoxyphenyl)sulfonylpiperazine-1,3-dicarboxylic acid CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonylpiperazine-1,3-dicarboxylic acid IUPAC Name: 4-(4-but-2-ynoxyphenyl)sulfonylpiperazine-1,3-dicarboxylic acid Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonylpiperazine-1,3-dicarboxylic acid Formula: C16H18N2O7S MolecularWeight: 382.38832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)O)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)O)C(=O)O

InChI

InChI=1S/C16H18N2O7S/c1-2-3-10-25-12-4-6-13(7-5-12)26(23,24)18-9-8-17(16(21)22)11-14(18)15(19)20/h4-7,14H,8-11H2,1H3,(H,19,20)(H,21,22)