(1S)-2-(2-nitrophenyl)sulfonyl-1-[(E)-prop-1-enyl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: (1S)-2-(2-nitrophenyl)sulfonyl-1-[(E)-prop-1-enyl]-3,4-dihydro-1H-isoquinoline Openeye Name: (1S)-2-(2-nitrophenyl)sulfonyl-1-[(E)-prop-1-enyl]-3,4-dihydro-1H-isoquinoline CAS Name: (1S)-2-(2-nitrophenyl)sulfonyl-1-[(E)-prop-1-enyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: (1S)-2-(2-nitrophenyl)sulfonyl-1-[(E)-prop-1-enyl]-3,4-dihydro-1H-isoquinoline Traditional Name: (1S)-2-(2-nitrophenyl)sulfonyl-1-[(E)-prop-1-enyl]-3,4-dihydro-1H-isoquinoline Formula: C18H18N2O4S MolecularWeight: 358.41152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CC1C2=CC=CC=C2CCN1S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C/C=C/[C@H]1C2=CC=CC=C2CCN1S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O4S/c1-2-7-16-15-9-4-3-8-14(15)12-13-19(16)25(23,24)18-11-6-5-10-17(18)20(21)22/h2-11,16H,12-13H2,1H3/b7-2+/t16-/m0/s1