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

Systemtic Name: 5-[2-azanyl-5-(diethylcarbamoylamino)phenyl]sulfonyl-2-methyl-benzenesulfonic acid Openeye Name: 5-[2-amino-5-(diethylcarbamoylamino)phenyl]sulfonyl-2-methyl-benzenesulfonic acid CAS Name: 5-[2-amino-5-[[diethylamino(oxo)methyl]amino]phenyl]sulfonyl-2-methylbenzenesulfonic acid IUPAC Name: 5-[2-amino-5-(diethylcarbamoylamino)phenyl]sulfonyl-2-methylbenzenesulfonic acid Traditional Name: 5-[2-amino-5-(diethylcarbamoylamino)phenyl]sulfonyl-2-methyl-besylic acid Formula: C18H23N3O6S2 MolecularWeight: 441.52172

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)NC1=CC(=C(C=C1)N)S(=O)(=O)C2=CC(=C(C=C2)C)S(=O)(=O)O

Isomeric SMILES

CCN(CC)C(=O)NC1=CC(=C(C=C1)N)S(=O)(=O)C2=CC(=C(C=C2)C)S(=O)(=O)O

InChI

InChI=1S/C18H23N3O6S2/c1-4-21(5-2)18(22)20-13-7-9-15(19)17(10-13)28(23,24)14-8-6-12(3)16(11-14)29(25,26)27/h6-11H,4-5,19H2,1-3H3,(H,20,22)(H,25,26,27)