2-[[5-(4-chlorophenyl)sulfonyl-2-methyl-phenyl]sulfonylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[[5-(4-chlorophenyl)sulfonyl-2-methyl-phenyl]sulfonylamino]-3-methyl-butanoic acid Openeye Name: 2-[[5-(4-chlorophenyl)sulfonyl-2-methyl-phenyl]sulfonylamino]-3-methyl-butanoic acid CAS Name: 2-[[5-(4-chlorophenyl)sulfonyl-2-methylphenyl]sulfonylamino]-3-methylbutanoic acid IUPAC Name: 2-[[5-(4-chlorophenyl)sulfonyl-2-methylphenyl]sulfonylamino]-3-methylbutanoic acid Traditional Name: 2-[[5-(4-chlorophenyl)sulfonyl-2-methyl-phenyl]sulfonylamino]-3-methyl-butyric acid Formula: C18H20ClNO6S2 MolecularWeight: 445.9375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)Cl)S(=O)(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)Cl)S(=O)(=O)NC(C(C)C)C(=O)O

InChI

InChI=1S/C18H20ClNO6S2/c1-11(2)17(18(21)22)20-28(25,26)16-10-15(7-4-12(16)3)27(23,24)14-8-5-13(19)6-9-14/h4-11,17,20H,1-3H3,(H,21,22)