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

Systemtic Name: 4-(methylamino)-3-nitro-N-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)benzamide Openeye Name: N-(2-hydroxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-4-(methylamino)-3-nitro-benzamide CAS Name: N-[2-hydroxy-5-(1-pyrrolidinylsulfonyl)phenyl]-4-(methylamino)-3-nitrobenzamide IUPAC Name: N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-(methylamino)-3-nitrobenzamide Traditional Name: N-(2-hydroxy-5-pyrrolidinosulfonyl-phenyl)-4-(methylamino)-3-nitro-benzamide Formula: C18H20N4O6S MolecularWeight: 420.4396

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)O)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)O)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O6S/c1-19-14-6-4-12(10-16(14)22(25)26)18(24)20-15-11-13(5-7-17(15)23)29(27,28)21-8-2-3-9-21/h4-7,10-11,19,23H,2-3,8-9H2,1H3,(H,20,24)