4-(1-methylimidazol-2-yl)sulfanyl-N-(2-morpholin-4-ylethyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-(1-methylimidazol-2-yl)sulfanyl-N-(2-morpholin-4-ylethyl)-3-nitro-benzenesulfonamide Openeye Name: 4-(1-methylimidazol-2-yl)sulfanyl-N-(2-morpholinoethyl)-3-nitro-benzenesulfonamide CAS Name: 4-[(1-methyl-2-imidazolyl)thio]-N-[2-(4-morpholinyl)ethyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-(1-methylimidazol-2-yl)sulfanyl-N-(2-morpholin-4-ylethyl)-3-nitrobenzenesulfonamide Traditional Name: 4-[(1-methylimidazol-2-yl)thio]-N-(2-morpholinoethyl)-3-nitro-benzenesulfonamide Formula: C16H21N5O5S2 MolecularWeight: 427.49844

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=C(C=C(C=C2)S(=O)(=O)NCCN3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1SC2=C(C=C(C=C2)S(=O)(=O)NCCN3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O5S2/c1-19-6-4-17-16(19)27-15-3-2-13(12-14(15)21(22)23)28(24,25)18-5-7-20-8-10-26-11-9-20/h2-4,6,12,18H,5,7-11H2,1H3