2-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)-3,4-dihydro-1H-isoquinoline Openeye Name: 2-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)-3,4-dihydro-1H-isoquinoline CAS Name: 2-[4-nitro-2-(1-pyrrolidinylsulfonyl)phenyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-(4-nitro-2-pyrrolidin-1-ylsulfonylphenyl)-3,4-dihydro-1H-isoquinoline Traditional Name: 2-(4-nitro-2-pyrrolidinosulfonyl-phenyl)-3,4-dihydro-1H-isoquinoline Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C19H21N3O4S/c23-22(24)17-7-8-18(19(13-17)27(25,26)21-10-3-4-11-21)20-12-9-15-5-1-2-6-16(15)14-20/h1-2,5-8,13H,3-4,9-12,14H2