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

Systemtic Name: 2-[(4-chlorophenyl)methylamino]-N-(2-methoxyphenyl)-5-nitro-benzenesulfonamide Openeye Name: 2-[(4-chlorophenyl)methylamino]-N-(2-methoxyphenyl)-5-nitro-benzenesulfonamide CAS Name: 2-[(4-chlorophenyl)methylamino]-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide IUPAC Name: 2-[(4-chlorophenyl)methylamino]-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide Traditional Name: 2-[(4-chlorobenzyl)amino]-N-(2-methoxyphenyl)-5-nitro-benzenesulfonamide Formula: C20H18ClN3O5S MolecularWeight: 447.89202

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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=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O5S/c1-29-19-5-3-2-4-17(19)23-30(27,28)20-12-16(24(25)26)10-11-18(20)22-13-14-6-8-15(21)9-7-14/h2-12,22-23H,13H2,1H3