5-pyrazin-2-yloxypentyl 4-methylbenzenesulfonate

Systemtic Name: 5-pyrazin-2-yloxypentyl 4-methylbenzenesulfonate Openeye Name: 5-pyrazin-2-yloxypentyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 5-(2-pyrazinyloxy)pentyl ester IUPAC Name: 5-pyrazin-2-yloxypentyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 5-pyrazin-2-yloxypentyl ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCOC2=NC=CN=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCOC2=NC=CN=C2

InChI

InChI=1S/C16H20N2O4S/c1-14-5-7-15(8-6-14)23(19,20)22-12-4-2-3-11-21-16-13-17-9-10-18-16/h5-10,13H,2-4,11-12H2,1H3