4-chloranyl-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-methyl-N-[(4-morpholinophenyl)methyl]-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-methyl-N-[[4-(4-morpholinyl)phenyl]methyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-methyl-N-(4-morpholinobenzyl)-3-nitro-benzenesulfonamide Formula: C18H20ClN3O5S MolecularWeight: 425.8865

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)N2CCOCC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=C(C=C1)N2CCOCC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H20ClN3O5S/c1-20(28(25,26)16-6-7-17(19)18(12-16)22(23)24)13-14-2-4-15(5-3-14)21-8-10-27-11-9-21/h2-7,12H,8-11,13H2,1H3