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

Systemtic Name: 3-azanyl-N-[(2-nitrophenyl)methyl]-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide Openeye Name: 3-amino-N-[(2-nitrophenyl)methyl]-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide CAS Name: 3-amino-N-[(2-nitrophenyl)methyl]-6-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-pyrazinecarboxamide IUPAC Name: 3-amino-N-[(2-nitrophenyl)methyl]-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide Traditional Name: 3-amino-N-(2-nitrobenzyl)-6-(4-pyrrolidinosulfonylphenyl)pyrazinamide Formula: C22H22N6O5S MolecularWeight: 482.51228

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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)NCC4=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)NCC4=CC=CC=C4[N+](=O)[O-])N

InChI

InChI=1S/C22H22N6O5S/c23-21-20(22(29)25-13-16-5-1-2-6-19(16)28(30)31)26-18(14-24-21)15-7-9-17(10-8-15)34(32,33)27-11-3-4-12-27/h1-2,5-10,14H,3-4,11-13H2,(H2,23,24)(H,25,29)