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

Systemtic Name: N,N-diethyl-4-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[4-[(3-methoxyphenyl)-oxomethyl]-1-piperazinyl]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-(4-m-anisoylpiperazino)-3-nitro-benzenesulfonamide Formula: C22H28N4O6S MolecularWeight: 476.54592

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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(=CC=C3)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O6S/c1-4-25(5-2)33(30,31)19-9-10-20(21(16-19)26(28)29)23-11-13-24(14-12-23)22(27)17-7-6-8-18(15-17)32-3/h6-10,15-16H,4-5,11-14H2,1-3H3