3-[[1-[(3-methoxyphenyl)-oxidanyl-methyl]cyclopentyl]amino]propane-1-sulfonic acid

Systemtic Name: 3-[[1-[(3-methoxyphenyl)-oxidanyl-methyl]cyclopentyl]amino]propane-1-sulfonic acid Openeye Name: 3-[[1-[hydroxy-(3-methoxyphenyl)methyl]cyclopentyl]amino]propane-1-sulfonic acid CAS Name: 3-[[1-[hydroxy-(3-methoxyphenyl)methyl]cyclopentyl]amino]-1-propanesulfonic acid IUPAC Name: 3-[[1-[hydroxy-(3-methoxyphenyl)methyl]cyclopentyl]amino]propane-1-sulfonic acid Traditional Name: 3-[[1-[hydroxy-(3-methoxyphenyl)methyl]cyclopentyl]amino]propane-1-sulfonic acid Formula: C16H25NO5S MolecularWeight: 343.4384

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(C2(CCCC2)NCCCS(=O)(=O)O)O

Isomeric SMILES

COC1=CC=CC(=C1)C(C2(CCCC2)NCCCS(=O)(=O)O)O

InChI

InChI=1S/C16H25NO5S/c1-22-14-7-4-6-13(12-14)15(18)16(8-2-3-9-16)17-10-5-11-23(19,20)21/h4,6-7,12,15,17-18H,2-3,5,8-11H2,1H3,(H,19,20,21)