N-(2-methoxyphenyl)-2-(4-methyl-1,4-diazepan-1-yl)-5-nitro-benzenesulfonamide

Systemtic Name: N-(2-methoxyphenyl)-2-(4-methyl-1,4-diazepan-1-yl)-5-nitro-benzenesulfonamide Openeye Name: N-(2-methoxyphenyl)-2-(4-methyl-1,4-diazepan-1-yl)-5-nitro-benzenesulfonamide CAS Name: N-(2-methoxyphenyl)-2-(4-methyl-1,4-diazepan-1-yl)-5-nitrobenzenesulfonamide IUPAC Name: N-(2-methoxyphenyl)-2-(4-methyl-1,4-diazepan-1-yl)-5-nitrobenzenesulfonamide Traditional Name: N-(2-methoxyphenyl)-2-(4-methyl-1,4-diazepan-1-yl)-5-nitro-benzenesulfonamide Formula: C19H24N4O5S MolecularWeight: 420.48266

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)NC3=CC=CC=C3OC

Isomeric SMILES

CN1CCCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)NC3=CC=CC=C3OC

InChI

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