N-[1-(1,3-benzothiazol-2-yl)ethyl]-N,4-dimethyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-N,4-dimethyl-3-nitro-benzenesulfonamide Openeye Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-N,4-dimethyl-3-nitro-benzenesulfonamide CAS Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-N,4-dimethyl-3-nitrobenzenesulfonamide IUPAC Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-N,4-dimethyl-3-nitrobenzenesulfonamide Traditional Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-N,4-dimethyl-3-nitro-benzenesulfonamide Formula: C17H17N3O4S2 MolecularWeight: 391.46458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C(C)C2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C(C)C2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O4S2/c1-11-8-9-13(10-15(11)20(21)22)26(23,24)19(3)12(2)17-18-14-6-4-5-7-16(14)25-17/h4-10,12H,1-3H3