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

Systemtic Name: N-[(6S)-2-azanyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-2-nitro-benzenesulfonamide Openeye Name: N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-2-nitro-benzenesulfonamide CAS Name: N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-2-nitrobenzenesulfonamide IUPAC Name: N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-2-nitrobenzenesulfonamide Traditional Name: N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-2-nitro-benzenesulfonamide Formula: C13H14N4O4S2 MolecularWeight: 354.40466

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CC1NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])SC(=N2)N

Isomeric SMILES

C1CC2=C(C[C@H]1NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])SC(=N2)N

InChI

InChI=1S/C13H14N4O4S2/c14-13-15-9-6-5-8(7-11(9)22-13)16-23(20,21)12-4-2-1-3-10(12)17(18)19/h1-4,8,16H,5-7H2,(H2,14,15)/t8-/m0/s1