1-(1-methylpyrrolidin-2-yl)-2-(2-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline

Systemtic Name: 1-(1-methylpyrrolidin-2-yl)-2-(2-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline Openeye Name: 1-(1-methylpyrrolidin-2-yl)-2-(2-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline CAS Name: 1-(1-methyl-2-pyrrolidinyl)-2-(2-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline IUPAC Name: 1-(1-methylpyrrolidin-2-yl)-2-(2-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline Traditional Name: 1-(1-methylpyrrolidin-2-yl)-2-(2-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1C2C3=CC=CC=C3CCN2S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CN1CCCC1C2C3=CC=CC=C3CCN2S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O4S/c1-21-13-6-10-18(21)20-16-8-3-2-7-15(16)12-14-22(20)28(26,27)19-11-5-4-9-17(19)23(24)25/h2-5,7-9,11,18,20H,6,10,12-14H2,1H3