4-(dimethylamino)-3-nitro-N-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide

Systemtic Name: 4-(dimethylamino)-3-nitro-N-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide Openeye Name: 4-(dimethylamino)-3-nitro-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide CAS Name: 4-(dimethylamino)-3-nitro-N-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]benzenesulfonamide IUPAC Name: 4-(dimethylamino)-3-nitro-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide Traditional Name: 4-(dimethylamino)-N-[2-keto-2-(4-phenylpiperazino)ethyl]-3-nitro-benzenesulfonamide Formula: C20H25N5O5S MolecularWeight: 447.508

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)S(=O)(=O)NCC(=O)N2CCN(CC2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)S(=O)(=O)NCC(=O)N2CCN(CC2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O5S/c1-22(2)18-9-8-17(14-19(18)25(27)28)31(29,30)21-15-20(26)24-12-10-23(11-13-24)16-6-4-3-5-7-16/h3-9,14,21H,10-13,15H2,1-2H3