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

Systemtic Name: 4-[6-chloranyl-3-(cyclopentylcarbamoylamino)-2-oxidanyl-phenyl]sulfonylpiperazine-1-carboxylic acid Openeye Name: 4-[6-chloro-3-(cyclopentylcarbamoylamino)-2-hydroxy-phenyl]sulfonylpiperazine-1-carboxylic acid CAS Name: 4-[6-chloro-3-[[(cyclopentylamino)-oxomethyl]amino]-2-hydroxyphenyl]sulfonyl-1-piperazinecarboxylic acid IUPAC Name: 4-[6-chloro-3-(cyclopentylcarbamoylamino)-2-hydroxyphenyl]sulfonylpiperazine-1-carboxylic acid Traditional Name: 4-[6-chloro-3-(cyclopentylcarbamoylamino)-2-hydroxy-phenyl]sulfonylpiperazine-1-carboxylic acid Formula: C17H23ClN4O6S MolecularWeight: 446.90572

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)NC2=C(C(=C(C=C2)Cl)S(=O)(=O)N3CCN(CC3)C(=O)O)O

Isomeric SMILES

C1CCC(C1)NC(=O)NC2=C(C(=C(C=C2)Cl)S(=O)(=O)N3CCN(CC3)C(=O)O)O

InChI

InChI=1S/C17H23ClN4O6S/c18-12-5-6-13(20-16(24)19-11-3-1-2-4-11)14(23)15(12)29(27,28)22-9-7-21(8-10-22)17(25)26/h5-6,11,23H,1-4,7-10H2,(H,25,26)(H2,19,20,24)