3-[[1-[(3,5-dimethoxyphenyl)methyl]cyclohexyl]amino]propane-1-sulfonic acid

Systemtic Name: 3-[[1-[(3,5-dimethoxyphenyl)methyl]cyclohexyl]amino]propane-1-sulfonic acid Openeye Name: 3-[[1-[(3,5-dimethoxyphenyl)methyl]cyclohexyl]amino]propane-1-sulfonic acid CAS Name: 3-[[1-[(3,5-dimethoxyphenyl)methyl]cyclohexyl]amino]-1-propanesulfonic acid IUPAC Name: 3-[[1-[(3,5-dimethoxyphenyl)methyl]cyclohexyl]amino]propane-1-sulfonic acid Traditional Name: 3-[[1-(3,5-dimethoxybenzyl)cyclohexyl]amino]propane-1-sulfonic acid Formula: C18H29NO5S MolecularWeight: 371.49156

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CC2(CCCCC2)NCCCS(=O)(=O)O)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CC2(CCCCC2)NCCCS(=O)(=O)O)OC

InChI

InChI=1S/C18H29NO5S/c1-23-16-11-15(12-17(13-16)24-2)14-18(7-4-3-5-8-18)19-9-6-10-25(20,21)22/h11-13,19H,3-10,14H2,1-2H3,(H,20,21,22)