5-[[diethoxyphosphoryl(phenyl)methyl]amino]-6,8-dinitro-naphthalene-1-sulfonamide

Systemtic Name: 5-[[diethoxyphosphoryl(phenyl)methyl]amino]-6,8-dinitro-naphthalene-1-sulfonamide Openeye Name: 5-[[diethoxyphosphoryl(phenyl)methyl]amino]-6,8-dinitro-naphthalene-1-sulfonamide CAS Name: 5-[[diethoxyphosphoryl(phenyl)methyl]amino]-6,8-dinitro-1-naphthalenesulfonamide IUPAC Name: 5-[[diethoxyphosphoryl(phenyl)methyl]amino]-6,8-dinitronaphthalene-1-sulfonamide Traditional Name: 5-[[diethoxyphosphoryl(phenyl)methyl]amino]-6,8-dinitro-naphthalene-1-sulfonamide Formula: C21H23N4O9PS MolecularWeight: 538.467481

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C1=CC=CC=C1)NC2=C(C=C(C3=C2C=CC=C3S(=O)(=O)N)[N+](=O)[O-])[N+](=O)[O-])OCC

Isomeric SMILES

CCOP(=O)(C(C1=CC=CC=C1)NC2=C(C=C(C3=C2C=CC=C3S(=O)(=O)N)[N+](=O)[O-])[N+](=O)[O-])OCC

InChI

InChI=1S/C21H23N4O9PS/c1-3-33-35(30,34-4-2)21(14-9-6-5-7-10-14)23-20-15-11-8-12-18(36(22,31)32)19(15)16(24(26)27)13-17(20)25(28)29/h5-13,21,23H,3-4H2,1-2H3,(H2,22,31,32)