N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-nitro-benzamide

Systemtic Name: N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-nitro-benzamide Openeye Name: N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-nitro-benzamide CAS Name: N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-nitrobenzamide IUPAC Name: N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-nitrobenzamide Traditional Name: N-(1-mesyl-3,4-dihydro-2H-quinolin-6-yl)-3-nitro-benzamide Formula: C17H17N3O5S MolecularWeight: 375.39898

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O5S/c1-26(24,25)19-9-3-5-12-10-14(7-8-16(12)19)18-17(21)13-4-2-6-15(11-13)20(22)23/h2,4,6-8,10-11H,3,5,9H2,1H3,(H,18,21)