3-[2-(benzotriazol-1-ylmethyl)-4-tert-butyl-pyrrol-1-yl]propyl 4-methylbenzenesulfonate

Systemtic Name: 3-[2-(benzotriazol-1-ylmethyl)-4-tert-butyl-pyrrol-1-yl]propyl 4-methylbenzenesulfonate Openeye Name: 3-[2-(benzotriazol-1-ylmethyl)-4-tert-butyl-pyrrol-1-yl]propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-[2-(1-benzotriazolylmethyl)-4-tert-butyl-1-pyrrolyl]propyl ester IUPAC Name: 3-[2-(benzotriazol-1-ylmethyl)-4-tert-butylpyrrol-1-yl]propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-[2-(benzotriazol-1-ylmethyl)-4-tert-butyl-pyrrol-1-yl]propyl ester Formula: C25H30N4O3S MolecularWeight: 466.5957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCN2C=C(C=C2CN3C4=CC=CC=C4N=N3)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCN2C=C(C=C2CN3C4=CC=CC=C4N=N3)C(C)(C)C

InChI

InChI=1S/C25H30N4O3S/c1-19-10-12-22(13-11-19)33(30,31)32-15-7-14-28-17-20(25(2,3)4)16-21(28)18-29-24-9-6-5-8-23(24)26-27-29/h5-6,8-13,16-17H,7,14-15,18H2,1-4H3