5-[2-azanyl-5-(3-methylbutanoylamino)phenyl]sulfonyl-2-methyl-benzenesulfonic acid

Systemtic Name: 5-[2-azanyl-5-(3-methylbutanoylamino)phenyl]sulfonyl-2-methyl-benzenesulfonic acid Openeye Name: 5-[2-amino-5-(3-methylbutanoylamino)phenyl]sulfonyl-2-methyl-benzenesulfonic acid CAS Name: 5-[2-amino-5-[(3-methyl-1-oxobutyl)amino]phenyl]sulfonyl-2-methylbenzenesulfonic acid IUPAC Name: 5-[2-amino-5-(3-methylbutanoylamino)phenyl]sulfonyl-2-methylbenzenesulfonic acid Traditional Name: 5-[2-amino-5-(isovalerylamino)phenyl]sulfonyl-2-methyl-besylic acid Formula: C18H22N2O6S2 MolecularWeight: 426.50708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O6S2/c1-11(2)8-18(21)20-13-5-7-15(19)17(9-13)27(22,23)14-6-4-12(3)16(10-14)28(24,25)26/h4-7,9-11H,8,19H2,1-3H3,(H,20,21)(H,24,25,26)