4-azanyl-2,9-dimethyl-7-[(2-methylphenyl)sulfonylamino]-5-oxidanyl-6-oxidanylidene-decane-5-sulfonic acid

Systemtic Name: 4-azanyl-2,9-dimethyl-7-[(2-methylphenyl)sulfonylamino]-5-oxidanyl-6-oxidanylidene-decane-5-sulfonic acid Openeye Name: 4-amino-5-hydroxy-2,9-dimethyl-7-(o-tolylsulfonylamino)-6-oxo-decane-5-sulfonic acid CAS Name: 4-amino-5-hydroxy-2,9-dimethyl-7-[(2-methylphenyl)sulfonylamino]-6-oxo-5-decanesulfonic acid IUPAC Name: 4-amino-5-hydroxy-2,9-dimethyl-7-[(2-methylphenyl)sulfonylamino]-6-oxodecane-5-sulfonic acid Traditional Name: 4-amino-5-hydroxy-6-keto-2,9-dimethyl-7-(o-tolylsulfonylamino)decane-5-sulfonic acid Formula: C19H32N2O7S2 MolecularWeight: 464.59658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)NC(CC(C)C)C(=O)C(C(CC(C)C)N)(O)S(=O)(=O)O

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)NC(CC(C)C)C(=O)C(C(CC(C)C)N)(O)S(=O)(=O)O

InChI

InChI=1S/C19H32N2O7S2/c1-12(2)10-15(21-29(24,25)16-9-7-6-8-14(16)5)18(22)19(23,30(26,27)28)17(20)11-13(3)4/h6-9,12-13,15,17,21,23H,10-11,20H2,1-5H3,(H,26,27,28)