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

Systemtic Name: 5-[2-azanyl-5-(butanoylamino)phenyl]sulfonyl-2-methyl-benzenesulfonic acid Openeye Name: 5-[2-amino-5-(butanoylamino)phenyl]sulfonyl-2-methyl-benzenesulfonic acid CAS Name: 5-[2-amino-5-(1-oxobutylamino)phenyl]sulfonyl-2-methylbenzenesulfonic acid IUPAC Name: 5-[2-amino-5-(butanoylamino)phenyl]sulfonyl-2-methylbenzenesulfonic acid Traditional Name: 5-(2-amino-5-butyramido-phenyl)sulfonyl-2-methyl-besylic acid Formula: C17H20N2O6S2 MolecularWeight: 412.4805

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O6S2/c1-3-4-17(20)19-12-6-8-14(18)16(9-12)26(21,22)13-7-5-11(2)15(10-13)27(23,24)25/h5-10H,3-4,18H2,1-2H3,(H,19,20)(H,23,24,25)