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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O6S2/c1-3-4-5-18(21)20-13-7-9-15(19)17(10-13)27(22,23)14-8-6-12(2)16(11-14)28(24,25)26/h6-11H,3-5,19H2,1-2H3,(H,20,21)(H,24,25,26)