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

Systemtic Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-3-methyl-piperazine-2-carboxylic acid Openeye Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-3-methyl-piperazine-2-carboxylic acid CAS Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-3-methyl-2-piperazinecarboxylic acid IUPAC Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-3-methylpiperazine-2-carboxylic acid Traditional Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-3-methyl-piperazine-2-carboxylic acid Formula: C16H20N2O5S MolecularWeight: 352.4054

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCNC(C2C(=O)O)C

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCNC(C2C(=O)O)C

InChI

InChI=1S/C16H20N2O5S/c1-3-4-11-23-13-5-7-14(8-6-13)24(21,22)18-10-9-17-12(2)15(18)16(19)20/h5-8,12,15,17H,9-11H2,1-2H3,(H,19,20)