1-[(E,3R)-3-(phenylsulfonyl)hept-1-enyl]benzotriazole

Systemtic Name: 1-[(E,3R)-3-(phenylsulfonyl)hept-1-enyl]benzotriazole Openeye Name: 1-[(E,3R)-3-(benzenesulfonyl)hept-1-enyl]benzotriazole CAS Name: 1-[(E,3R)-3-(benzenesulfonyl)hept-1-enyl]benzotriazole IUPAC Name: 1-[(E,3R)-3-(benzenesulfonyl)hept-1-enyl]benzotriazole Traditional Name: 1-[(E,3R)-3-besylhept-1-enyl]benzotriazole Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C=CN1C2=CC=CC=C2N=N1)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCC[C@H](/C=C/N1C2=CC=CC=C2N=N1)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H21N3O2S/c1-2-3-9-17(25(23,24)16-10-5-4-6-11-16)14-15-22-19-13-8-7-12-18(19)20-21-22/h4-8,10-15,17H,2-3,9H2,1H3/b15-14+/t17-/m1/s1