[5-tert-butyl-2-methyl-4-(4-methylphenyl)sulfonylsulfanyl-phenyl]-carboxy-carbamic acid

Systemtic Name: [5-tert-butyl-2-methyl-4-(4-methylphenyl)sulfonylsulfanyl-phenyl]-carboxy-carbamic acid Openeye Name: [5-tert-butyl-2-methyl-4-(p-tolylsulfonylsulfanyl)phenyl]-carboxy-carbamic acid CAS Name: [5-tert-butyl-2-methyl-4-[(4-methylphenyl)sulfonylthio]phenyl]-carboxycarbamic acid IUPAC Name: [5-tert-butyl-2-methyl-4-(4-methylphenyl)sulfonylsulfanylphenyl]-carboxycarbamic acid Traditional Name: [5-tert-butyl-2-methyl-4-(tosylthio)phenyl]-carboxy-carbamic acid Formula: C20H23NO6S2 MolecularWeight: 437.52972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)SC2=CC(=C(C=C2C(C)(C)C)N(C(=O)O)C(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)SC2=CC(=C(C=C2C(C)(C)C)N(C(=O)O)C(=O)O)C

InChI

InChI=1S/C20H23NO6S2/c1-12-6-8-14(9-7-12)29(26,27)28-17-10-13(2)16(11-15(17)20(3,4)5)21(18(22)23)19(24)25/h6-11H,1-5H3,(H,22,23)(H,24,25)