N-(8-nitro-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-propyl-benzenesulfonamide

Systemtic Name: N-(8-nitro-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-propyl-benzenesulfonamide Openeye Name: N-(8-nitro-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-propyl-benzenesulfonamide CAS Name: N-(8-nitro-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-propylbenzenesulfonamide IUPAC Name: N-(8-nitro-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-propylbenzenesulfonamide Traditional Name: N-(8-nitro-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-propyl-benzenesulfonamide Formula: C20H19N3O4S2 MolecularWeight: 429.51256

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(S2)CCC4=C3C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(S2)CCC4=C3C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O4S2/c1-2-3-13-4-9-16(10-5-13)29(26,27)22-20-21-19-17-12-15(23(24)25)8-6-14(17)7-11-18(19)28-20/h4-6,8-10,12H,2-3,7,11H2,1H3,(H,21,22)