N-tert-butyl-4-[(2-morpholin-4-yl-1-phenyl-ethyl)amino]-3-nitro-benzenesulfonamide

Systemtic Name: N-tert-butyl-4-[(2-morpholin-4-yl-1-phenyl-ethyl)amino]-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-[(2-morpholino-1-phenyl-ethyl)amino]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[[2-(4-morpholinyl)-1-phenylethyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[(2-morpholin-4-yl-1-phenylethyl)amino]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-[(2-morpholino-1-phenyl-ethyl)amino]-3-nitro-benzenesulfonamide Formula: C22H30N4O5S MolecularWeight: 462.5624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NC(CN2CCOCC2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NC(CN2CCOCC2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H30N4O5S/c1-22(2,3)24-32(29,30)18-9-10-19(21(15-18)26(27)28)23-20(17-7-5-4-6-8-17)16-25-11-13-31-14-12-25/h4-10,15,20,23-24H,11-14,16H2,1-3H3