2-[[4-(3-chloranyl-4-cyclohexyl-phenyl)-4-oxidanylidene-butanoyl]amino]ethanesulfonic acid

Systemtic Name: 2-[[4-(3-chloranyl-4-cyclohexyl-phenyl)-4-oxidanylidene-butanoyl]amino]ethanesulfonic acid Openeye Name: 2-[[4-(3-chloro-4-cyclohexyl-phenyl)-4-oxo-butanoyl]amino]ethanesulfonic acid CAS Name: 2-[[4-(3-chloro-4-cyclohexylphenyl)-1,4-dioxobutyl]amino]ethanesulfonic acid IUPAC Name: 2-[[4-(3-chloro-4-cyclohexylphenyl)-4-oxobutanoyl]amino]ethanesulfonic acid Traditional Name: 2-[[4-(3-chloro-4-cyclohexyl-phenyl)-4-keto-butanoyl]amino]ethanesulfonic acid Formula: C18H24ClNO5S MolecularWeight: 401.90486

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(C=C(C=C2)C(=O)CCC(=O)NCCS(=O)(=O)O)Cl

Isomeric SMILES

C1CCC(CC1)C2=C(C=C(C=C2)C(=O)CCC(=O)NCCS(=O)(=O)O)Cl

InChI

InChI=1S/C18H24ClNO5S/c19-16-12-14(6-7-15(16)13-4-2-1-3-5-13)17(21)8-9-18(22)20-10-11-26(23,24)25/h6-7,12-13H,1-5,8-11H2,(H,20,22)(H,23,24,25)