4-[[2-(diethylamino)-3-phenyl-propyl]amino]-N-methyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[[2-(diethylamino)-3-phenyl-propyl]amino]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[[2-(diethylamino)-3-phenyl-propyl]amino]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[[2-(diethylamino)-3-phenylpropyl]amino]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[[2-(diethylamino)-3-phenylpropyl]amino]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[[2-(diethylamino)-3-phenyl-propyl]amino]-N-methyl-3-nitro-benzenesulfonamide Formula: C20H28N4O4S MolecularWeight: 420.52572

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(CC1=CC=CC=C1)CNC2=C(C=C(C=C2)S(=O)(=O)NC)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(CC1=CC=CC=C1)CNC2=C(C=C(C=C2)S(=O)(=O)NC)[N+](=O)[O-]

InChI

InChI=1S/C20H28N4O4S/c1-4-23(5-2)17(13-16-9-7-6-8-10-16)15-22-19-12-11-18(29(27,28)21-3)14-20(19)24(25)26/h6-12,14,17,21-22H,4-5,13,15H2,1-3H3