[2-(methylamino)-5-nitro-phenyl]-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-yl]methanone

Systemtic Name: [2-(methylamino)-5-nitro-phenyl]-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-yl]methanone Openeye Name: [2-(methylamino)-5-nitro-phenyl]-[4-(5-morpholinosulfonyl-2-pyridyl)piperazin-1-yl]methanone CAS Name: [2-(methylamino)-5-nitrophenyl]-[4-[5-(4-morpholinylsulfonyl)-2-pyridinyl]-1-piperazinyl]methanone IUPAC Name: [2-(methylamino)-5-nitrophenyl]-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-yl]methanone Traditional Name: [2-(methylamino)-5-nitro-phenyl]-[4-(5-morpholinosulfonyl-2-pyridyl)piperazino]methanone Formula: C21H26N6O6S MolecularWeight: 490.53274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)C3=NC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)C3=NC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H26N6O6S/c1-22-19-4-2-16(27(29)30)14-18(19)21(28)25-8-6-24(7-9-25)20-5-3-17(15-23-20)34(31,32)26-10-12-33-13-11-26/h2-5,14-15,22H,6-13H2,1H3