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

Systemtic Name: 4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-nitro-benzenesulfonamide Openeye Name: 4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-nitro-benzenesulfonamide CAS Name: 4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-nitrobenzenesulfonamide Traditional Name: 3-nitro-4-(4-p-anisyl-1,4-diazepan-1-yl)benzenesulfonamide Formula: C19H24N4O5S MolecularWeight: 420.48266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O5S/c1-28-16-5-3-15(4-6-16)14-21-9-2-10-22(12-11-21)18-8-7-17(29(20,26)27)13-19(18)23(24)25/h3-8,13H,2,9-12,14H2,1H3,(H2,20,26,27)