N-[2-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)ethyl]-4,5-dimethoxy-2-nitro-benzamide

Systemtic Name: N-[2-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)ethyl]-4,5-dimethoxy-2-nitro-benzamide Openeye Name: N-[2-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)ethyl]-4,5-dimethoxy-2-nitro-benzamide CAS Name: N-[2-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)ethyl]-4,5-dimethoxy-2-nitrobenzamide IUPAC Name: N-[2-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)ethyl]-4,5-dimethoxy-2-nitrobenzamide Traditional Name: N-[2-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)ethyl]-4,5-dimethoxy-2-nitro-benzamide Formula: C20H23N3O7S MolecularWeight: 449.47752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NCCS(=O)(=O)N2CCCC3=CC=CC=C32)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NCCS(=O)(=O)N2CCCC3=CC=CC=C32)[N+](=O)[O-])OC

InChI

InChI=1S/C20H23N3O7S/c1-29-18-12-15(17(23(25)26)13-19(18)30-2)20(24)21-9-11-31(27,28)22-10-5-7-14-6-3-4-8-16(14)22/h3-4,6,8,12-13H,5,7,9-11H2,1-2H3,(H,21,24)