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

Systemtic Name: 2-[2-(benzotriazol-1-ylmethyl)-4-phenyl-pyrrol-1-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[2-(benzotriazol-1-ylmethyl)-4-phenyl-pyrrol-1-yl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[2-(1-benzotriazolylmethyl)-4-phenyl-1-pyrrolyl]ethyl ester IUPAC Name: 2-[2-(benzotriazol-1-ylmethyl)-4-phenylpyrrol-1-yl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[2-(benzotriazol-1-ylmethyl)-4-phenyl-pyrrol-1-yl]ethyl ester Formula: C26H24N4O3S MolecularWeight: 472.55876

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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)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCN2C=C(C=C2CN3C4=CC=CC=C4N=N3)C5=CC=CC=C5

InChI

InChI=1S/C26H24N4O3S/c1-20-11-13-24(14-12-20)34(31,32)33-16-15-29-18-22(21-7-3-2-4-8-21)17-23(29)19-30-26-10-6-5-9-25(26)27-28-30/h2-14,17-18H,15-16,19H2,1H3