6-azanyl-5-[[diethoxyphosphoryl(phenyl)methyl]amino]-8-nitro-naphthalene-1-sulfonamide

Systemtic Name: 6-azanyl-5-[[diethoxyphosphoryl(phenyl)methyl]amino]-8-nitro-naphthalene-1-sulfonamide Openeye Name: 6-amino-5-[[diethoxyphosphoryl(phenyl)methyl]amino]-8-nitro-naphthalene-1-sulfonamide CAS Name: 6-amino-5-[[diethoxyphosphoryl(phenyl)methyl]amino]-8-nitro-1-naphthalenesulfonamide IUPAC Name: 6-amino-5-[[diethoxyphosphoryl(phenyl)methyl]amino]-8-nitronaphthalene-1-sulfonamide Traditional Name: 6-amino-5-[[diethoxyphosphoryl(phenyl)methyl]amino]-8-nitro-naphthalene-1-sulfonamide Formula: C21H25N4O7PS MolecularWeight: 508.484561

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C1=CC=CC=C1)NC2=C3C=CC=C(C3=C(C=C2N)[N+](=O)[O-])S(=O)(=O)N)OCC

Isomeric SMILES

CCOP(=O)(C(C1=CC=CC=C1)NC2=C3C=CC=C(C3=C(C=C2N)[N+](=O)[O-])S(=O)(=O)N)OCC

InChI

InChI=1S/C21H25N4O7PS/c1-3-31-33(28,32-4-2)21(14-9-6-5-7-10-14)24-20-15-11-8-12-18(34(23,29)30)19(15)17(25(26)27)13-16(20)22/h5-13,21,24H,3-4,22H2,1-2H3,(H2,23,29,30)