1-(4-but-2-ynoxyphenyl)sulfonyl-3-methyl-5-oxidanylidene-piperazine-2-carboxylic acid

Systemtic Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-3-methyl-5-oxidanylidene-piperazine-2-carboxylic acid Openeye Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-3-methyl-5-oxo-piperazine-2-carboxylic acid CAS Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-3-methyl-5-oxo-2-piperazinecarboxylic acid IUPAC Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-3-methyl-5-oxopiperazine-2-carboxylic acid Traditional Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-5-keto-3-methyl-piperazine-2-carboxylic acid Formula: C16H18N2O6S MolecularWeight: 366.38892

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC(=O)NC(C2C(=O)O)C

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC(=O)NC(C2C(=O)O)C

InChI

InChI=1S/C16H18N2O6S/c1-3-4-9-24-12-5-7-13(8-6-12)25(22,23)18-10-14(19)17-11(2)15(18)16(20)21/h5-8,11,15H,9-10H2,1-2H3,(H,17,19)(H,20,21)