N-tert-butyl-3-nitro-4-(prop-2-ynylamino)benzenesulfonamide

Systemtic Name: N-tert-butyl-3-nitro-4-(prop-2-ynylamino)benzenesulfonamide Openeye Name: N-tert-butyl-3-nitro-4-(prop-2-ynylamino)benzenesulfonamide CAS Name: N-tert-butyl-3-nitro-4-(prop-2-ynylamino)benzenesulfonamide IUPAC Name: N-tert-butyl-3-nitro-4-(prop-2-ynylamino)benzenesulfonamide Traditional Name: N-tert-butyl-3-nitro-4-(propargylamino)benzenesulfonamide Formula: C13H17N3O4S MolecularWeight: 311.35678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NCC#C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NCC#C)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O4S/c1-5-8-14-11-7-6-10(9-12(11)16(17)18)21(19,20)15-13(2,3)4/h1,6-7,9,14-15H,8H2,2-4H3