5-(1-diethoxyphosphorylpropylamino)-6-nitro-naphthalene-1-sulfonamide

Systemtic Name: 5-(1-diethoxyphosphorylpropylamino)-6-nitro-naphthalene-1-sulfonamide Openeye Name: 5-(1-diethoxyphosphorylpropylamino)-6-nitro-naphthalene-1-sulfonamide CAS Name: 5-(1-diethoxyphosphorylpropylamino)-6-nitro-1-naphthalenesulfonamide IUPAC Name: 5-(1-diethoxyphosphorylpropylamino)-6-nitronaphthalene-1-sulfonamide Traditional Name: 5-(1-diethoxyphosphorylpropylamino)-6-nitro-naphthalene-1-sulfonamide Formula: C17H24N3O7PS MolecularWeight: 445.427121

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NC1=C(C=CC2=C1C=CC=C2S(=O)(=O)N)[N+](=O)[O-])P(=O)(OCC)OCC

Isomeric SMILES

CCC(NC1=C(C=CC2=C1C=CC=C2S(=O)(=O)N)[N+](=O)[O-])P(=O)(OCC)OCC

InChI

InChI=1S/C17H24N3O7PS/c1-4-16(28(23,26-5-2)27-6-3)19-17-13-8-7-9-15(29(18,24)25)12(13)10-11-14(17)20(21)22/h7-11,16,19H,4-6H2,1-3H3,(H2,18,24,25)