5-(benzotriazol-2-yl)-4-phenyl-5-[1-(phenylsulfonyl)pyrrol-3-yl]hexan-2-one

Systemtic Name: 5-(benzotriazol-2-yl)-4-phenyl-5-[1-(phenylsulfonyl)pyrrol-3-yl]hexan-2-one Openeye Name: 5-[1-(benzenesulfonyl)pyrrol-3-yl]-5-(benzotriazol-2-yl)-4-phenyl-hexan-2-one CAS Name: 5-[1-(benzenesulfonyl)-3-pyrrolyl]-5-(2-benzotriazolyl)-4-phenyl-2-hexanone IUPAC Name: 5-[1-(benzenesulfonyl)pyrrol-3-yl]-5-(benzotriazol-2-yl)-4-phenylhexan-2-one Traditional Name: 5-(benzotriazol-2-yl)-5-(1-besylpyrrol-3-yl)-4-phenyl-hexan-2-one Formula: C28H26N4O3S MolecularWeight: 498.59604

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C1=CC=CC=C1)C(C)(C2=CN(C=C2)S(=O)(=O)C3=CC=CC=C3)N4N=C5C=CC=CC5=N4

Isomeric SMILES

CC(=O)CC(C1=CC=CC=C1)C(C)(C2=CN(C=C2)S(=O)(=O)C3=CC=CC=C3)N4N=C5C=CC=CC5=N4

InChI

InChI=1S/C28H26N4O3S/c1-21(33)19-25(22-11-5-3-6-12-22)28(2,32-29-26-15-9-10-16-27(26)30-32)23-17-18-31(20-23)36(34,35)24-13-7-4-8-14-24/h3-18,20,25H,19H2,1-2H3