5-(1-prop-1-en-2-ylbenzimidazol-2-yl)oxypentyl 4-methylbenzenesulfonate

Systemtic Name: 5-(1-prop-1-en-2-ylbenzimidazol-2-yl)oxypentyl 4-methylbenzenesulfonate Openeye Name: 5-(1-isopropenylbenzimidazol-2-yl)oxypentyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 5-[[1-(1-methylethenyl)-2-benzimidazolyl]oxy]pentyl ester IUPAC Name: 5-(1-prop-1-en-2-ylbenzimidazol-2-yl)oxypentyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 5-(1-isopropenylbenzimidazol-2-yl)oxypentyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCOC2=NC3=CC=CC=C3N2C(=C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCOC2=NC3=CC=CC=C3N2C(=C)C

InChI

InChI=1S/C22H26N2O4S/c1-17(2)24-21-10-6-5-9-20(21)23-22(24)27-15-7-4-8-16-28-29(25,26)19-13-11-18(3)12-14-19/h5-6,9-14H,1,4,7-8,15-16H2,2-3H3