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

Systemtic Name: 4-azanyl-3-nitro-N-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)benzamide Openeye Name: 4-amino-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-3-nitro-benzamide CAS Name: 4-amino-N-[2-hydroxy-5-(1-pyrrolidinylsulfonyl)phenyl]-3-nitrobenzamide IUPAC Name: 4-amino-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-nitrobenzamide Traditional Name: 4-amino-N-(2-hydroxy-5-pyrrolidinosulfonyl-phenyl)-3-nitro-benzamide Formula: C17H18N4O6S MolecularWeight: 406.41302

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)NC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)NC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O6S/c18-13-5-3-11(9-15(13)21(24)25)17(23)19-14-10-12(4-6-16(14)22)28(26,27)20-7-1-2-8-20/h3-6,9-10,22H,1-2,7-8,18H2,(H,19,23)