N,N-diethyl-4-(3-nitro-4-piperidin-1-yl-phenyl)carbonyl-piperazine-1-sulfonamide

Systemtic Name: N,N-diethyl-4-(3-nitro-4-piperidin-1-yl-phenyl)carbonyl-piperazine-1-sulfonamide Openeye Name: N,N-diethyl-4-[3-nitro-4-(1-piperidyl)benzoyl]piperazine-1-sulfonamide CAS Name: N,N-diethyl-4-[[3-nitro-4-(1-piperidinyl)phenyl]-oxomethyl]-1-piperazinesulfonamide IUPAC Name: N,N-diethyl-4-(3-nitro-4-piperidin-1-ylbenzoyl)piperazine-1-sulfonamide Traditional Name: N,N-diethyl-4-(3-nitro-4-piperidino-benzoyl)piperazine-1-sulfonamide Formula: C20H31N5O5S MolecularWeight: 453.55564

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H31N5O5S/c1-3-23(4-2)31(29,30)24-14-12-22(13-15-24)20(26)17-8-9-18(19(16-17)25(27)28)21-10-6-5-7-11-21/h8-9,16H,3-7,10-15H2,1-2H3