2-[[2-(butylsulfonylamino)pentyl-phenyl-carbamoyl]-ethyl-amino]cyclohexane-1-carboxylic acid

Systemtic Name: 2-[[2-(butylsulfonylamino)pentyl-phenyl-carbamoyl]-ethyl-amino]cyclohexane-1-carboxylic acid Openeye Name: 2-[[2-(butylsulfonylamino)pentyl-phenyl-carbamoyl]-ethyl-amino]cyclohexanecarboxylic acid CAS Name: 2-[[[N-[2-(butylsulfonylamino)pentyl]anilino]-oxomethyl]-ethylamino]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[[2-(butylsulfonylamino)pentyl-phenylcarbamoyl]-ethylamino]cyclohexane-1-carboxylic acid Traditional Name: 2-[[2-(butylsulfonylamino)pentyl-phenyl-carbamoyl]-ethyl-amino]cyclohexanecarboxylic acid Formula: C25H41N3O5S MolecularWeight: 495.67514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CCC)CN(C1=CC=CC=C1)C(=O)N(CC)C2CCCCC2C(=O)O

Isomeric SMILES

CCCCS(=O)(=O)NC(CCC)CN(C1=CC=CC=C1)C(=O)N(CC)C2CCCCC2C(=O)O

InChI

InChI=1S/C25H41N3O5S/c1-4-7-18-34(32,33)26-20(13-5-2)19-28(21-14-9-8-10-15-21)25(31)27(6-3)23-17-12-11-16-22(23)24(29)30/h8-10,14-15,20,22-23,26H,4-7,11-13,16-19H2,1-3H3,(H,29,30)