3-[5-tert-butyl-4-(chloromethyl)-3-oxidanylidene-1,2-oxazol-2-yl]-N-hexadecyl-N-methyl-2-nitro-benzenesulfonamide

Systemtic Name: 3-[5-tert-butyl-4-(chloromethyl)-3-oxidanylidene-1,2-oxazol-2-yl]-N-hexadecyl-N-methyl-2-nitro-benzenesulfonamide Openeye Name: 3-[5-tert-butyl-4-(chloromethyl)-3-oxo-isoxazol-2-yl]-N-hexadecyl-N-methyl-2-nitro-benzenesulfonamide CAS Name: 3-[5-tert-butyl-4-(chloromethyl)-3-oxo-2-isoxazolyl]-N-hexadecyl-N-methyl-2-nitrobenzenesulfonamide IUPAC Name: 3-[5-tert-butyl-4-(chloromethyl)-3-oxo-1,2-oxazol-2-yl]-N-hexadecyl-N-methyl-2-nitrobenzenesulfonamide Traditional Name: 3-[5-tert-butyl-4-(chloromethyl)-3-keto-4-isoxazolin-2-yl]-N-cetyl-N-methyl-2-nitro-benzenesulfonamide Formula: C31H50ClN3O6S MolecularWeight: 628.2632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN(C)S(=O)(=O)C1=CC=CC(=C1[N+](=O)[O-])N2C(=O)C(=C(O2)C(C)(C)C)CCl

Isomeric SMILES

CCCCCCCCCCCCCCCCN(C)S(=O)(=O)C1=CC=CC(=C1[N+](=O)[O-])N2C(=O)C(=C(O2)C(C)(C)C)CCl

InChI

InChI=1S/C31H50ClN3O6S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-33(5)42(39,40)27-22-20-21-26(28(27)35(37)38)34-30(36)25(24-32)29(41-34)31(2,3)4/h20-22H,6-19,23-24H2,1-5H3