7-diethoxyphosphoryl-4-(2-nitrophenyl)sulfonyl-1,4,7-triazacyclotetradecan-2-one

Systemtic Name: 7-diethoxyphosphoryl-4-(2-nitrophenyl)sulfonyl-1,4,7-triazacyclotetradecan-2-one Openeye Name: 7-diethoxyphosphoryl-4-(2-nitrophenyl)sulfonyl-1,4,7-triazacyclotetradecan-2-one CAS Name: 7-diethoxyphosphoryl-4-(2-nitrophenyl)sulfonyl-1,4,7-triazacyclotetradecan-2-one IUPAC Name: 7-diethoxyphosphoryl-4-(2-nitrophenyl)sulfonyl-1,4,7-triazacyclotetradecan-2-one Traditional Name: 7-diethoxyphosphoryl-4-(2-nitrophenyl)sulfonyl-1,4,7-triazacyclotetradecan-2-one Formula: C21H35N4O8PS MolecularWeight: 534.563361

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(N1CCCCCCCNC(=O)CN(CC1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])OCC

Isomeric SMILES

CCOP(=O)(N1CCCCCCCNC(=O)CN(CC1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])OCC

InChI

InChI=1S/C21H35N4O8PS/c1-3-32-34(29,33-4-2)23-15-11-7-5-6-10-14-22-21(26)18-24(17-16-23)35(30,31)20-13-9-8-12-19(20)25(27)28/h8-9,12-13H,3-7,10-11,14-18H2,1-2H3,(H,22,26)