4,5-dimethoxy-2-nitro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide

Systemtic Name: 4,5-dimethoxy-2-nitro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide Openeye Name: 4,5-dimethoxy-2-nitro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide CAS Name: 4,5-dimethoxy-2-nitro-N-[3-(1-pyrrolidinylsulfonyl)phenyl]benzamide IUPAC Name: 4,5-dimethoxy-2-nitro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide Traditional Name: 4,5-dimethoxy-2-nitro-N-(3-pyrrolidinosulfonylphenyl)benzamide Formula: C19H21N3O7S MolecularWeight: 435.45094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H21N3O7S/c1-28-17-11-15(16(22(24)25)12-18(17)29-2)19(23)20-13-6-5-7-14(10-13)30(26,27)21-8-3-4-9-21/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,20,23)