N-[4-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]carbonylphenyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[4-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]carbonylphenyl]-3-nitro-benzenesulfonamide Openeye Name: N-[4-[4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]-3-nitro-benzenesulfonamide CAS Name: N-[4-[[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazinyl]-oxomethyl]phenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[4-[4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]-3-nitrobenzenesulfonamide Traditional Name: N-[4-[4-(2,5-dimethoxybenzyl)piperazine-1-carbonyl]phenyl]-3-nitro-benzenesulfonamide Formula: C26H28N4O7S MolecularWeight: 540.58812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H28N4O7S/c1-36-23-10-11-25(37-2)20(16-23)18-28-12-14-29(15-13-28)26(31)19-6-8-21(9-7-19)27-38(34,35)24-5-3-4-22(17-24)30(32)33/h3-11,16-17,27H,12-15,18H2,1-2H3