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

Systemtic Name: 1-(1-methylpyrrolidin-2-yl)-2-(3-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline Openeye Name: 1-(1-methylpyrrolidin-2-yl)-2-(3-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline CAS Name: 1-(1-methyl-2-pyrrolidinyl)-2-(3-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline IUPAC Name: 1-(1-methylpyrrolidin-2-yl)-2-(3-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline Traditional Name: 1-(1-methylpyrrolidin-2-yl)-2-(3-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/c1-21-12-5-10-19(21)20-18-9-3-2-6-15(18)11-13-22(20)28(26,27)17-8-4-7-16(14-17)23(24)25/h2-4,6-9,14,19-20H,5,10-13H2,1H3