4-(4-nitrophenyl)sulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperazine-1-carboxamide

Systemtic Name: 4-(4-nitrophenyl)sulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperazine-1-carboxamide Openeye Name: 4-(4-nitrophenyl)sulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperazine-1-carboxamide CAS Name: 4-(4-nitrophenyl)sulfonyl-N-[(1-phenyl-4-pyrazolyl)methyl]-1-piperazinecarboxamide IUPAC Name: 4-(4-nitrophenyl)sulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperazine-1-carboxamide Traditional Name: 4-nosyl-N-[(1-phenylpyrazol-4-yl)methyl]piperazine-1-carboxamide Formula: C21H22N6O5S MolecularWeight: 470.50158

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)NCC2=CN(N=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)NCC2=CN(N=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N6O5S/c28-21(22-14-17-15-23-26(16-17)18-4-2-1-3-5-18)24-10-12-25(13-11-24)33(31,32)20-8-6-19(7-9-20)27(29)30/h1-9,15-16H,10-14H2,(H,22,28)