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

Systemtic Name: 5-[2-azanyl-5-(dimethylcarbamoylamino)phenyl]sulfonyl-2-methyl-benzenesulfonic acid Openeye Name: 5-[2-amino-5-(dimethylcarbamoylamino)phenyl]sulfonyl-2-methyl-benzenesulfonic acid CAS Name: 5-[2-amino-5-[[dimethylamino(oxo)methyl]amino]phenyl]sulfonyl-2-methylbenzenesulfonic acid IUPAC Name: 5-[2-amino-5-(dimethylcarbamoylamino)phenyl]sulfonyl-2-methylbenzenesulfonic acid Traditional Name: 5-[2-amino-5-(dimethylcarbamoylamino)phenyl]sulfonyl-2-methyl-besylic acid Formula: C16H19N3O6S2 MolecularWeight: 413.46856

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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)N(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)N(C)C)N)S(=O)(=O)O

InChI

InChI=1S/C16H19N3O6S2/c1-10-4-6-12(9-14(10)27(23,24)25)26(21,22)15-8-11(5-7-13(15)17)18-16(20)19(2)3/h4-9H,17H2,1-3H3,(H,18,20)(H,23,24,25)