N-[(6S)-2-azanyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-2-nitro-N-propyl-benzenesulfonamide

Systemtic Name: N-[(6S)-2-azanyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-2-nitro-N-propyl-benzenesulfonamide Openeye Name: N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-2-nitro-N-propyl-benzenesulfonamide CAS Name: N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-2-nitro-N-propylbenzenesulfonamide IUPAC Name: N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-2-nitro-N-propylbenzenesulfonamide Traditional Name: N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-2-nitro-N-propyl-benzenesulfonamide Formula: C16H20N4O4S2 MolecularWeight: 396.4844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1CCC2=C(C1)SC(=N2)N)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCCN([C@H]1CCC2=C(C1)SC(=N2)N)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O4S2/c1-2-9-19(11-7-8-12-14(10-11)25-16(17)18-12)26(23,24)15-6-4-3-5-13(15)20(21)22/h3-6,11H,2,7-10H2,1H3,(H2,17,18)/t11-/m0/s1