3-nitro-N-phenyl-4-(prop-2-ynylamino)benzenesulfonamide

Systemtic Name: 3-nitro-N-phenyl-4-(prop-2-ynylamino)benzenesulfonamide Openeye Name: 3-nitro-N-phenyl-4-(prop-2-ynylamino)benzenesulfonamide CAS Name: 3-nitro-N-phenyl-4-(prop-2-ynylamino)benzenesulfonamide IUPAC Name: 3-nitro-N-phenyl-4-(prop-2-ynylamino)benzenesulfonamide Traditional Name: 3-nitro-N-phenyl-4-(propargylamino)benzenesulfonamide Formula: C15H13N3O4S MolecularWeight: 331.34642

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C#CCNC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O4S/c1-2-10-16-14-9-8-13(11-15(14)18(19)20)23(21,22)17-12-6-4-3-5-7-12/h1,3-9,11,16-17H,10H2