[4-[(2S)-3-(tert-butylamino)-2-oxidanyl-propoxy]-3-cyclopentyl-phenyl] hydrogen sulfate

Systemtic Name: [4-[(2S)-3-(tert-butylamino)-2-oxidanyl-propoxy]-3-cyclopentyl-phenyl] hydrogen sulfate Openeye Name: [4-[(2S)-3-(tert-butylamino)-2-hydroxy-propoxy]-3-cyclopentyl-phenyl] hydrogen sulfate CAS Name: sulfuric acid [4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-3-cyclopentylphenyl] ester IUPAC Name: [4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-3-cyclopentylphenyl] hydrogen sulfate Traditional Name: sulfuric acid [4-[(2S)-3-(tert-butylamino)-2-hydroxy-propoxy]-3-cyclopentyl-phenyl] ester Formula: C18H29NO6S MolecularWeight: 387.49096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=C(C=C(C=C1)OS(=O)(=O)O)C2CCCC2)O

Isomeric SMILES

CC(C)(C)NC[C@@H](COC1=C(C=C(C=C1)OS(=O)(=O)O)C2CCCC2)O

InChI

InChI=1S/C18H29NO6S/c1-18(2,3)19-11-14(20)12-24-17-9-8-15(25-26(21,22)23)10-16(17)13-6-4-5-7-13/h8-10,13-14,19-20H,4-7,11-12H2,1-3H3,(H,21,22,23)/t14-/m0/s1