(E)-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-(4-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-(4-nitrophenyl)prop-2-enamide Openeye Name: (E)-3-(4-nitrophenyl)-N-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]prop-2-enamide CAS Name: (E)-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-(4-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-(4-nitrophenyl)prop-2-enamide Traditional Name: (E)-3-(4-nitrophenyl)-N-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)acrylamide Formula: C25H23N3O5S MolecularWeight: 477.53222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C=CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)/C=C/C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H23N3O5S/c1-18-2-11-24(12-3-18)34(32,33)27-15-14-20-7-8-22(16-21(20)17-27)26-25(29)13-6-19-4-9-23(10-5-19)28(30)31/h2-13,16H,14-15,17H2,1H3,(H,26,29)/b13-6+