N,N-diethyl-4-(3-morpholin-4-ylpropylamino)-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-(3-morpholin-4-ylpropylamino)-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-(3-morpholinopropylamino)-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[3-(4-morpholinyl)propylamino]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-(3-morpholin-4-ylpropylamino)-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-(3-morpholinopropylamino)-3-nitro-benzenesulfonamide Formula: C17H28N4O5S MolecularWeight: 400.49302

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCCCN2CCOCC2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCCCN2CCOCC2)[N+](=O)[O-]

InChI

InChI=1S/C17H28N4O5S/c1-3-20(4-2)27(24,25)15-6-7-16(17(14-15)21(22)23)18-8-5-9-19-10-12-26-13-11-19/h6-7,14,18H,3-5,8-13H2,1-2H3