N-[(2-morpholin-4-ylpyridin-4-yl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-[(2-morpholin-4-ylpyridin-4-yl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-[(2-morpholino-4-pyridyl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide CAS Name: N-[[2-(4-morpholinyl)-4-pyridinyl]methyl]-4-(3-nitrophenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-[(2-morpholin-4-ylpyridin-4-yl)methyl]-4-(3-nitrophenyl)sulfonylpiperazine-1-carboxamide Traditional Name: N-[(2-morpholino-4-pyridyl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide Formula: C21H26N6O6S MolecularWeight: 490.53274

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)NCC2=CC(=NC=C2)N3CCOCC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)NCC2=CC(=NC=C2)N3CCOCC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H26N6O6S/c28-21(23-16-17-4-5-22-20(14-17)24-10-12-33-13-11-24)25-6-8-26(9-7-25)34(31,32)19-3-1-2-18(15-19)27(29)30/h1-5,14-15H,6-13,16H2,(H,23,28)