N,N-diethyl-3-nitro-4-(prop-2-ynylamino)benzenesulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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