N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-4,5-dimethoxy-2-nitro-benzamide

Systemtic Name: N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-4,5-dimethoxy-2-nitro-benzamide Openeye Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)-4,5-dimethoxy-2-nitro-benzamide CAS Name: N-[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-4,5-dimethoxy-2-nitrobenzamide IUPAC Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-4,5-dimethoxy-2-nitrobenzamide Traditional Name: N-(4-chloro-3-pyrrolidinosulfonyl-phenyl)-4,5-dimethoxy-2-nitro-benzamide Formula: C19H20ClN3O7S MolecularWeight: 469.896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O7S/c1-29-16-10-13(15(23(25)26)11-17(16)30-2)19(24)21-12-5-6-14(20)18(9-12)31(27,28)22-7-3-4-8-22/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,21,24)