4-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-nitro-N-prop-2-ynyl-benzamide

Systemtic Name: 4-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-nitro-N-prop-2-ynyl-benzamide Openeye Name: 4-tert-butyl-N-(3,5-dimethylisoxazol-4-yl)sulfonyl-3-nitro-N-prop-2-ynyl-benzamide CAS Name: 4-tert-butyl-N-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-3-nitro-N-prop-2-ynylbenzamide IUPAC Name: 4-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-nitro-N-prop-2-ynylbenzamide Traditional Name: 4-tert-butyl-N-(3,5-dimethylisoxazol-4-yl)sulfonyl-3-nitro-N-propargyl-benzamide Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N(CC#C)C(=O)C2=CC(=C(C=C2)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N(CC#C)C(=O)C2=CC(=C(C=C2)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O6S/c1-7-10-21(29(26,27)17-12(2)20-28-13(17)3)18(23)14-8-9-15(19(4,5)6)16(11-14)22(24)25/h1,8-9,11H,10H2,2-6H3