N-(2-methoxyphenyl)-2-[(2-methoxypyridin-4-yl)methylamino]-5-nitro-benzenesulfonamide

Systemtic Name: N-(2-methoxyphenyl)-2-[(2-methoxypyridin-4-yl)methylamino]-5-nitro-benzenesulfonamide Openeye Name: N-(2-methoxyphenyl)-2-[(2-methoxy-4-pyridyl)methylamino]-5-nitro-benzenesulfonamide CAS Name: N-(2-methoxyphenyl)-2-[(2-methoxy-4-pyridinyl)methylamino]-5-nitrobenzenesulfonamide IUPAC Name: N-(2-methoxyphenyl)-2-[(2-methoxypyridin-4-yl)methylamino]-5-nitrobenzenesulfonamide Traditional Name: N-(2-methoxyphenyl)-2-[(2-methoxy-4-pyridyl)methylamino]-5-nitro-benzenesulfonamide Formula: C20H20N4O6S MolecularWeight: 444.461

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3=CC(=NC=C3)OC

Isomeric SMILES

COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3=CC(=NC=C3)OC

InChI

InChI=1S/C20H20N4O6S/c1-29-18-6-4-3-5-16(18)23-31(27,28)19-12-15(24(25)26)7-8-17(19)22-13-14-9-10-21-20(11-14)30-2/h3-12,22-23H,13H2,1-2H3