3-[[1-[(4-methylphenyl)-oxidanyl-methyl]cyclohexyl]amino]propane-1-sulfonic acid

Systemtic Name: 3-[[1-[(4-methylphenyl)-oxidanyl-methyl]cyclohexyl]amino]propane-1-sulfonic acid Openeye Name: 3-[[1-[hydroxy(p-tolyl)methyl]cyclohexyl]amino]propane-1-sulfonic acid CAS Name: 3-[[1-[hydroxy-(4-methylphenyl)methyl]cyclohexyl]amino]-1-propanesulfonic acid IUPAC Name: 3-[[1-[hydroxy-(4-methylphenyl)methyl]cyclohexyl]amino]propane-1-sulfonic acid Traditional Name: 3-[[1-[hydroxy(p-tolyl)methyl]cyclohexyl]amino]propane-1-sulfonic acid Formula: C17H27NO4S MolecularWeight: 341.46558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2(CCCCC2)NCCCS(=O)(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C2(CCCCC2)NCCCS(=O)(=O)O)O

InChI

InChI=1S/C17H27NO4S/c1-14-6-8-15(9-7-14)16(19)17(10-3-2-4-11-17)18-12-5-13-23(20,21)22/h6-9,16,18-19H,2-5,10-13H2,1H3,(H,20,21,22)