1-[4-but-2-ynoxy-3-(phenylsulfonyl)thiophen-2-yl]carbonylpiperazine-2-carboxylic acid

Systemtic Name: 1-[4-but-2-ynoxy-3-(phenylsulfonyl)thiophen-2-yl]carbonylpiperazine-2-carboxylic acid Openeye Name: 1-[3-(benzenesulfonyl)-4-but-2-ynoxy-thiophene-2-carbonyl]piperazine-2-carboxylic acid CAS Name: 1-[[3-(benzenesulfonyl)-4-but-2-ynoxy-2-thiophenyl]-oxomethyl]-2-piperazinecarboxylic acid IUPAC Name: 1-[3-(benzenesulfonyl)-4-but-2-ynoxythiophene-2-carbonyl]piperazine-2-carboxylic acid Traditional Name: 1-(3-besyl-4-but-2-ynoxy-thiophene-2-carbonyl)piperazine-2-carboxylic acid Formula: C20H20N2O6S2 MolecularWeight: 448.5126

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CSC(=C1S(=O)(=O)C2=CC=CC=C2)C(=O)N3CCNCC3C(=O)O

Isomeric SMILES

CC#CCOC1=CSC(=C1S(=O)(=O)C2=CC=CC=C2)C(=O)N3CCNCC3C(=O)O

InChI

InChI=1S/C20H20N2O6S2/c1-2-3-11-28-16-13-29-17(18(16)30(26,27)14-7-5-4-6-8-14)19(23)22-10-9-21-12-15(22)20(24)25/h4-8,13,15,21H,9-12H2,1H3,(H,24,25)