N1-[3,5-bis(chloranyl)phenyl]-4-(4-but-2-ynoxyphenyl)sulfonyl-N3-oxidanyl-piperazine-1,3-dicarboxamide

Systemtic Name: N1-[3,5-bis(chloranyl)phenyl]-4-(4-but-2-ynoxyphenyl)sulfonyl-N3-oxidanyl-piperazine-1,3-dicarboxamide Openeye Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-N-(3,5-dichlorophenyl)-3-(hydroxycarbamoyl)piperazine-1-carboxamide CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-N1-(3,5-dichlorophenyl)-N3-hydroxypiperazine-1,3-dicarboxamide IUPAC Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-N-(3,5-dichlorophenyl)-3-N-hydroxypiperazine-1,3-dicarboxamide Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-N-(3,5-dichlorophenyl)-3-(hydroxycarbamoyl)piperazine-1-carboxamide Formula: C22H22Cl2N4O6S MolecularWeight: 541.40428

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)NO)C(=O)NC3=CC(=CC(=C3)Cl)Cl

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)NO)C(=O)NC3=CC(=CC(=C3)Cl)Cl

InChI

InChI=1S/C22H22Cl2N4O6S/c1-2-3-10-34-18-4-6-19(7-5-18)35(32,33)28-9-8-27(14-20(28)21(29)26-31)22(30)25-17-12-15(23)11-16(24)13-17/h4-7,11-13,20,31H,8-10,14H2,1H3,(H,25,30)(H,26,29)