2-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-5-nitro-benzenesulfonamide

Systemtic Name: 2-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-5-nitro-benzenesulfonamide Openeye Name: 2-methyl-N-[(4-morpholinophenyl)methyl]-5-nitro-benzenesulfonamide CAS Name: 2-methyl-N-[[4-(4-morpholinyl)phenyl]methyl]-5-nitrobenzenesulfonamide IUPAC Name: 2-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-5-nitrobenzenesulfonamide Traditional Name: 2-methyl-N-(4-morpholinobenzyl)-5-nitro-benzenesulfonamide Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC2=CC=C(C=C2)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC2=CC=C(C=C2)N3CCOCC3

InChI

InChI=1S/C18H21N3O5S/c1-14-2-5-17(21(22)23)12-18(14)27(24,25)19-13-15-3-6-16(7-4-15)20-8-10-26-11-9-20/h2-7,12,19H,8-11,13H2,1H3