2-[[4-(8-cyclohexyloctylamino)phenyl]carbonylamino]ethanesulfonic acid

Systemtic Name: 2-[[4-(8-cyclohexyloctylamino)phenyl]carbonylamino]ethanesulfonic acid Openeye Name: 2-[[4-(8-cyclohexyloctylamino)benzoyl]amino]ethanesulfonic acid CAS Name: 2-[[[4-(8-cyclohexyloctylamino)phenyl]-oxomethyl]amino]ethanesulfonic acid IUPAC Name: 2-[[4-(8-cyclohexyloctylamino)benzoyl]amino]ethanesulfonic acid Traditional Name: 2-[[4-(8-cyclohexyloctylamino)benzoyl]amino]ethanesulfonic acid Formula: C23H38N2O4S MolecularWeight: 438.62382

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCCCCCCCNC2=CC=C(C=C2)C(=O)NCCS(=O)(=O)O

Isomeric SMILES

C1CCC(CC1)CCCCCCCCNC2=CC=C(C=C2)C(=O)NCCS(=O)(=O)O

InChI

InChI=1S/C23H38N2O4S/c26-23(25-18-19-30(27,28)29)21-13-15-22(16-14-21)24-17-9-4-2-1-3-6-10-20-11-7-5-8-12-20/h13-16,20,24H,1-12,17-19H2,(H,25,26)(H,27,28,29)