4-[4-(3,4-diethoxyphenyl)carbonylpiperazin-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[4-(3,4-diethoxyphenyl)carbonylpiperazin-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[4-(3,4-diethoxybenzoyl)piperazin-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[4-[(3,4-diethoxyphenyl)-oxomethyl]-1-piperazinyl]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-(3,4-diethoxybenzoyl)piperazin-1-yl]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[4-(3,4-diethoxybenzoyl)piperazino]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C25H34N4O7S MolecularWeight: 534.62506

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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(C=C3)OCC)OCC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C25H34N4O7S/c1-5-28(6-2)37(33,34)20-10-11-21(22(18-20)29(31)32)26-13-15-27(16-14-26)25(30)19-9-12-23(35-7-3)24(17-19)36-8-4/h9-12,17-18H,5-8,13-16H2,1-4H3