1-phenyl-4-(phenylsulfonyl)-3-prop-2-enyl-isoquinoline

Systemtic Name: 1-phenyl-4-(phenylsulfonyl)-3-prop-2-enyl-isoquinoline Openeye Name: 3-allyl-4-(benzenesulfonyl)-1-phenyl-isoquinoline CAS Name: 4-(benzenesulfonyl)-1-phenyl-3-prop-2-enylisoquinoline IUPAC Name: 4-(benzenesulfonyl)-1-phenyl-3-prop-2-enylisoquinoline Traditional Name: 3-allyl-4-besyl-1-phenyl-isoquinoline Formula: C24H19NO2S MolecularWeight: 385.47816

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=C(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C=CCC1=C(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H19NO2S/c1-2-11-22-24(28(26,27)19-14-7-4-8-15-19)21-17-10-9-16-20(21)23(25-22)18-12-5-3-6-13-18/h2-10,12-17H,1,11H2