4-azanyl-3-[1,3-benzothiazol-2-yl-(5-nitro-1,3-thiazol-2-yl)amino]benzenesulfonamide

Systemtic Name: 4-azanyl-3-[1,3-benzothiazol-2-yl-(5-nitro-1,3-thiazol-2-yl)amino]benzenesulfonamide Openeye Name: 4-amino-3-[1,3-benzothiazol-2-yl-(5-nitrothiazol-2-yl)amino]benzenesulfonamide CAS Name: 4-amino-3-[1,3-benzothiazol-2-yl-(5-nitro-2-thiazolyl)amino]benzenesulfonamide IUPAC Name: 4-amino-3-[1,3-benzothiazol-2-yl-(5-nitro-1,3-thiazol-2-yl)amino]benzenesulfonamide Traditional Name: 4-amino-3-[1,3-benzothiazol-2-yl-(5-nitrothiazol-2-yl)amino]benzenesulfonamide Formula: C16H12N6O4S3 MolecularWeight: 448.49928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)N(C3=C(C=CC(=C3)S(=O)(=O)N)N)C4=NC=C(S4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)N(C3=C(C=CC(=C3)S(=O)(=O)N)N)C4=NC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C16H12N6O4S3/c17-10-6-5-9(29(18,25)26)7-12(10)21(15-19-8-14(28-15)22(23)24)16-20-11-3-1-2-4-13(11)27-16/h1-8H,17H2,(H2,18,25,26)