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

Systemtic Name: 2-(2-methyl-5-nitro-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline Openeye Name: 2-(2-methyl-5-nitro-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline CAS Name: 2-(2-methyl-5-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-(2-methyl-5-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline Traditional Name: 2-(2-methyl-5-nitro-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C16H16N2O4S/c1-12-6-7-15(18(19)20)10-16(12)23(21,22)17-9-8-13-4-2-3-5-14(13)11-17/h2-7,10H,8-9,11H2,1H3