4-[3-(furan-2-ylmethylamino)-4-nitro-phenyl]-N,N-dimethyl-piperazine-1-sulfonamide

Systemtic Name: 4-[3-(furan-2-ylmethylamino)-4-nitro-phenyl]-N,N-dimethyl-piperazine-1-sulfonamide Openeye Name: 4-[3-(2-furylmethylamino)-4-nitro-phenyl]-N,N-dimethyl-piperazine-1-sulfonamide CAS Name: 4-[3-(2-furanylmethylamino)-4-nitrophenyl]-N,N-dimethyl-1-piperazinesulfonamide IUPAC Name: 4-[3-(furan-2-ylmethylamino)-4-nitrophenyl]-N,N-dimethylpiperazine-1-sulfonamide Traditional Name: 4-[3-(2-furfurylamino)-4-nitro-phenyl]-N,N-dimethyl-piperazine-1-sulfonamide Formula: C17H23N5O5S MolecularWeight: 409.46002

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CO3

Isomeric SMILES

CN(C)S(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CO3

InChI

InChI=1S/C17H23N5O5S/c1-19(2)28(25,26)21-9-7-20(8-10-21)14-5-6-17(22(23)24)16(12-14)18-13-15-4-3-11-27-15/h3-6,11-12,18H,7-10,13H2,1-2H3