N-[4-[(2S)-butan-2-yl]phenyl]-N-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-3-nitro-benzenesulfonamide

Systemtic Name: N-[4-[(2S)-butan-2-yl]phenyl]-N-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-3-nitro-benzenesulfonamide Openeye Name: N-[4-[(1S)-1-methylpropyl]phenyl]-N-(2-morpholino-2-oxo-ethyl)-3-nitro-benzenesulfonamide CAS Name: N-[4-[(2S)-butan-2-yl]phenyl]-N-[2-(4-morpholinyl)-2-oxoethyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[4-[(2S)-butan-2-yl]phenyl]-N-(2-morpholin-4-yl-2-oxoethyl)-3-nitrobenzenesulfonamide Traditional Name: N-(2-keto-2-morpholino-ethyl)-N-[4-[(1S)-1-methylpropyl]phenyl]-3-nitro-benzenesulfonamide Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N(CC(=O)N2CCOCC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)N(CC(=O)N2CCOCC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O6S/c1-3-17(2)18-7-9-19(10-8-18)24(16-22(26)23-11-13-31-14-12-23)32(29,30)21-6-4-5-20(15-21)25(27)28/h4-10,15,17H,3,11-14,16H2,1-2H3/t17-/m0/s1