1-methoxypropan-2-yl 4-(5-pyridin-4-ylhexan-3-yl)benzenesulfonate

Systemtic Name: 1-methoxypropan-2-yl 4-(5-pyridin-4-ylhexan-3-yl)benzenesulfonate Openeye Name: (2-methoxy-1-methyl-ethyl) 4-[1-ethyl-3-(4-pyridyl)butyl]benzenesulfonate CAS Name: 4-(5-pyridin-4-ylhexan-3-yl)benzenesulfonic acid 1-methoxypropan-2-yl ester IUPAC Name: 1-methoxypropan-2-yl 4-(5-pyridin-4-ylhexan-3-yl)benzenesulfonate Traditional Name: 4-[1-ethyl-3-(4-pyridyl)butyl]benzenesulfonic acid (2-methoxy-1-methyl-ethyl) ester Formula: C21H29NO4S MolecularWeight: 391.52426

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)C1=CC=NC=C1)C2=CC=C(C=C2)S(=O)(=O)OC(C)COC

Isomeric SMILES

CCC(CC(C)C1=CC=NC=C1)C2=CC=C(C=C2)S(=O)(=O)OC(C)COC

InChI

InChI=1S/C21H29NO4S/c1-5-18(14-16(2)19-10-12-22-13-11-19)20-6-8-21(9-7-20)27(23,24)26-17(3)15-25-4/h6-13,16-18H,5,14-15H2,1-4H3