N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-4-methyl-3-nitro-benzamide

Systemtic Name: N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-4-methyl-3-nitro-benzamide Openeye Name: N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-4-methyl-3-nitro-benzamide CAS Name: N-[2-methoxy-5-(1-pyrrolidinylsulfonyl)phenyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-methyl-3-nitrobenzamide Traditional Name: N-(2-methoxy-5-pyrrolidinosulfonyl-phenyl)-4-methyl-3-nitro-benzamide Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O6S/c1-13-5-6-14(11-17(13)22(24)25)19(23)20-16-12-15(7-8-18(16)28-2)29(26,27)21-9-3-4-10-21/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,20,23)