N-(2-methyl-5-methylsulfonyl-phenyl)-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(2-methyl-5-methylsulfonyl-phenyl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(2-methyl-5-methylsulfonyl-phenyl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-(2-methyl-5-methylsulfonylphenyl)-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(2-methyl-5-methylsulfonylphenyl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(5-mesyl-2-methyl-phenyl)-3-nitro-4-pyrrolidino-benzamide Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O5S/c1-13-5-7-15(28(2,26)27)12-16(13)20-19(23)14-6-8-17(18(11-14)22(24)25)21-9-3-4-10-21/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,20,23)