3-azanyl-N-(3-nitrophenyl)-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide

Systemtic Name: 3-azanyl-N-(3-nitrophenyl)-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide Openeye Name: 3-amino-N-(3-nitrophenyl)-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide CAS Name: 3-amino-N-(3-nitrophenyl)-6-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-pyrazinecarboxamide IUPAC Name: 3-amino-N-(3-nitrophenyl)-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide Traditional Name: 3-amino-N-(3-nitrophenyl)-6-(4-pyrrolidinosulfonylphenyl)pyrazinamide Formula: C21H20N6O5S MolecularWeight: 468.4857

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=CN=C(C(=N3)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-])N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=CN=C(C(=N3)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-])N

InChI

InChI=1S/C21H20N6O5S/c22-20-19(21(28)24-15-4-3-5-16(12-15)27(29)30)25-18(13-23-20)14-6-8-17(9-7-14)33(31,32)26-10-1-2-11-26/h3-9,12-13H,1-2,10-11H2,(H2,22,23)(H,24,28)