4-diethoxyphosphoryl-1-(2-nitrophenyl)sulfonyl-1,4,7-triazacyclotetradecane

Systemtic Name: 4-diethoxyphosphoryl-1-(2-nitrophenyl)sulfonyl-1,4,7-triazacyclotetradecane Openeye Name: 4-diethoxyphosphoryl-1-(2-nitrophenyl)sulfonyl-1,4,7-triazacyclotetradecane CAS Name: 4-diethoxyphosphoryl-1-(2-nitrophenyl)sulfonyl-1,4,7-triazacyclotetradecane IUPAC Name: 4-diethoxyphosphoryl-1-(2-nitrophenyl)sulfonyl-1,4,7-triazacyclotetradecane Traditional Name: 4-diethoxyphosphoryl-1-(2-nitrophenyl)sulfonyl-1,4,7-triazacyclotetradecane Formula: C21H37N4O7PS MolecularWeight: 520.579841

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(N1CCNCCCCCCCN(CC1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])OCC

Isomeric SMILES

CCOP(=O)(N1CCNCCCCCCCN(CC1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])OCC

InChI

InChI=1S/C21H37N4O7PS/c1-3-31-33(28,32-4-2)23-17-15-22-14-10-6-5-7-11-16-24(19-18-23)34(29,30)21-13-9-8-12-20(21)25(26)27/h8-9,12-13,22H,3-7,10-11,14-19H2,1-2H3