1-butylsulfonyl-5-(butylsulfonylamino)-2-methyl-indole-3-carboxylic acid

Systemtic Name: 1-butylsulfonyl-5-(butylsulfonylamino)-2-methyl-indole-3-carboxylic acid Openeye Name: 1-butylsulfonyl-5-(butylsulfonylamino)-2-methyl-indole-3-carboxylic acid CAS Name: 1-butylsulfonyl-5-(butylsulfonylamino)-2-methyl-3-indolecarboxylic acid IUPAC Name: 1-butylsulfonyl-5-(butylsulfonylamino)-2-methylindole-3-carboxylic acid Traditional Name: 1-butylsulfonyl-5-(butylsulfonylamino)-2-methyl-indole-3-carboxylic acid Formula: C18H26N2O6S2 MolecularWeight: 430.53884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC1=CC2=C(C=C1)N(C(=C2C(=O)O)C)S(=O)(=O)CCCC

Isomeric SMILES

CCCCS(=O)(=O)NC1=CC2=C(C=C1)N(C(=C2C(=O)O)C)S(=O)(=O)CCCC

InChI

InChI=1S/C18H26N2O6S2/c1-4-6-10-27(23,24)19-14-8-9-16-15(12-14)17(18(21)22)13(3)20(16)28(25,26)11-7-5-2/h8-9,12,19H,4-7,10-11H2,1-3H3,(H,21,22)