4-[6-chloranyl-3-(cyclobutylcarbamoylamino)-2-oxidanyl-phenyl]sulfonylpiperazine-1-carboxylic acid

Systemtic Name: 4-[6-chloranyl-3-(cyclobutylcarbamoylamino)-2-oxidanyl-phenyl]sulfonylpiperazine-1-carboxylic acid Openeye Name: 4-[6-chloro-3-(cyclobutylcarbamoylamino)-2-hydroxy-phenyl]sulfonylpiperazine-1-carboxylic acid CAS Name: 4-[6-chloro-3-[[(cyclobutylamino)-oxomethyl]amino]-2-hydroxyphenyl]sulfonyl-1-piperazinecarboxylic acid IUPAC Name: 4-[6-chloro-3-(cyclobutylcarbamoylamino)-2-hydroxyphenyl]sulfonylpiperazine-1-carboxylic acid Traditional Name: 4-[6-chloro-3-(cyclobutylcarbamoylamino)-2-hydroxy-phenyl]sulfonylpiperazine-1-carboxylic acid Formula: C16H21ClN4O6S MolecularWeight: 432.87914

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)NC(=O)NC2=C(C(=C(C=C2)Cl)S(=O)(=O)N3CCN(CC3)C(=O)O)O

Isomeric SMILES

C1CC(C1)NC(=O)NC2=C(C(=C(C=C2)Cl)S(=O)(=O)N3CCN(CC3)C(=O)O)O

InChI

InChI=1S/C16H21ClN4O6S/c17-11-4-5-12(19-15(23)18-10-2-1-3-10)13(22)14(11)28(26,27)21-8-6-20(7-9-21)16(24)25/h4-5,10,22H,1-3,6-9H2,(H,24,25)(H2,18,19,23)