4-[4-(4,5-dimethylthiophen-2-yl)carbonylpiperazin-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[4-(4,5-dimethylthiophen-2-yl)carbonylpiperazin-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[4-(4,5-dimethylthiophene-2-carbonyl)piperazin-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[4-[(4,5-dimethyl-2-thiophenyl)-oxomethyl]-1-piperazinyl]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-(4,5-dimethylthiophene-2-carbonyl)piperazin-1-yl]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[4-(4,5-dimethylthiophene-2-carbonyl)piperazino]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C21H28N4O5S2 MolecularWeight: 480.60082

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=C(S3)C)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=C(S3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H28N4O5S2/c1-5-24(6-2)32(29,30)17-7-8-18(19(14-17)25(27)28)22-9-11-23(12-10-22)21(26)20-13-15(3)16(4)31-20/h7-8,13-14H,5-6,9-12H2,1-4H3