2-(3,4-dimethyl-5-nitro-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-(3,4-dimethyl-5-nitro-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline Openeye Name: 2-(3,4-dimethyl-5-nitro-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline CAS Name: 2-(3,4-dimethyl-5-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-(3,4-dimethyl-5-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline Traditional Name: 2-(3,4-dimethyl-5-nitro-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)[N+](=O)[O-])S(=O)(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC1=CC(=CC(=C1C)[N+](=O)[O-])S(=O)(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C17H18N2O4S/c1-12-9-16(10-17(13(12)2)19(20)21)24(22,23)18-8-7-14-5-3-4-6-15(14)11-18/h3-6,9-10H,7-8,11H2,1-2H3