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

Systemtic Name: N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methoxy-4-nitro-N-prop-2-ynyl-benzamide Openeye Name: N-(3,5-dimethylisoxazol-4-yl)sulfonyl-3-methoxy-4-nitro-N-prop-2-ynyl-benzamide CAS Name: N-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-3-methoxy-4-nitro-N-prop-2-ynylbenzamide IUPAC Name: N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methoxy-4-nitro-N-prop-2-ynylbenzamide Traditional Name: N-(3,5-dimethylisoxazol-4-yl)sulfonyl-3-methoxy-4-nitro-N-propargyl-benzamide Formula: C16H15N3O7S MolecularWeight: 393.3712

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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)[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O7S/c1-5-8-18(27(23,24)15-10(2)17-26-11(15)3)16(20)12-6-7-13(19(21)22)14(9-12)25-4/h1,6-7,9H,8H2,2-4H3