N-(3-ethylpent-1-yn-3-yl)-4-[(3-nitrophenyl)sulfonylamino]benzamide

Systemtic Name: N-(3-ethylpent-1-yn-3-yl)-4-[(3-nitrophenyl)sulfonylamino]benzamide Openeye Name: N-(1,1-diethylprop-2-ynyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide CAS Name: N-(3-ethylpent-1-yn-3-yl)-4-[(3-nitrophenyl)sulfonylamino]benzamide IUPAC Name: N-(3-ethylpent-1-yn-3-yl)-4-[(3-nitrophenyl)sulfonylamino]benzamide Traditional Name: N-(1,1-diethylprop-2-ynyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)(C#C)NC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5S/c1-4-20(5-2,6-3)21-19(24)15-10-12-16(13-11-15)22-29(27,28)18-9-7-8-17(14-18)23(25)26/h1,7-14,22H,5-6H2,2-3H3,(H,21,24)