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

Systemtic Name: 4-methyl-3-nitro-N-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)benzamide Openeye Name: N-(2-hydroxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-4-methyl-3-nitro-benzamide CAS Name: N-[2-hydroxy-5-(1-pyrrolidinylsulfonyl)phenyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-methyl-3-nitrobenzamide Traditional Name: N-(2-hydroxy-5-pyrrolidinosulfonyl-phenyl)-4-methyl-3-nitro-benzamide Formula: C18H19N3O6S MolecularWeight: 405.42496

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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)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O6S/c1-12-4-5-13(10-16(12)21(24)25)18(23)19-15-11-14(6-7-17(15)22)28(26,27)20-8-2-3-9-20/h4-7,10-11,22H,2-3,8-9H2,1H3,(H,19,23)