4-(4-methoxy-3-nitro-phenyl)sulfonyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide

Systemtic Name: 4-(4-methoxy-3-nitro-phenyl)sulfonyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide Openeye Name: 4-(4-methoxy-3-nitro-phenyl)sulfonyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide CAS Name: 4-(4-methoxy-3-nitrophenyl)sulfonyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-piperazinecarboxamide IUPAC Name: 4-(4-methoxy-3-nitrophenyl)sulfonyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide Traditional Name: 4-(4-methoxy-3-nitro-phenyl)sulfonyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide Formula: C16H21N7O6S MolecularWeight: 439.44624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1CNC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1CNC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H21N7O6S/c1-20-11-18-19-15(20)10-17-16(24)21-5-7-22(8-6-21)30(27,28)12-3-4-14(29-2)13(9-12)23(25)26/h3-4,9,11H,5-8,10H2,1-2H3,(H,17,24)