4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-3-nitro-N-phenyl-benzenesulfonamide

Systemtic Name: 4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-3-nitro-N-phenyl-benzenesulfonamide Openeye Name: 4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-3-nitro-N-phenyl-benzenesulfonamide CAS Name: 4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-3-nitro-N-phenylbenzenesulfonamide IUPAC Name: 4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-3-nitro-N-phenylbenzenesulfonamide Traditional Name: 3-nitro-4-(4-p-anisyl-1,4-diazepan-4-ium-1-yl)-N-phenyl-benzenesulfonamide Formula: C25H29N4O5S+ MolecularWeight: 497.58656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)NC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)NC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H28N4O5S/c1-34-22-10-8-20(9-11-22)19-27-14-5-15-28(17-16-27)24-13-12-23(18-25(24)29(30)31)35(32,33)26-21-6-3-2-4-7-21/h2-4,6-13,18,26H,5,14-17,19H2,1H3/p+1