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

Systemtic Name: 2-[2-(benzotriazol-1-ylmethyl)-4-tert-butyl-pyrrol-1-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[2-(benzotriazol-1-ylmethyl)-4-tert-butyl-pyrrol-1-yl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[2-(1-benzotriazolylmethyl)-4-tert-butyl-1-pyrrolyl]ethyl ester IUPAC Name: 2-[2-(benzotriazol-1-ylmethyl)-4-tert-butylpyrrol-1-yl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[2-(benzotriazol-1-ylmethyl)-4-tert-butyl-pyrrol-1-yl]ethyl ester Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCN2C=C(C=C2CN3C4=CC=CC=C4N=N3)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCN2C=C(C=C2CN3C4=CC=CC=C4N=N3)C(C)(C)C

InChI

InChI=1S/C24H28N4O3S/c1-18-9-11-21(12-10-18)32(29,30)31-14-13-27-16-19(24(2,3)4)15-20(27)17-28-23-8-6-5-7-22(23)25-26-28/h5-12,15-16H,13-14,17H2,1-4H3