3-cyano-N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide

Systemtic Name: 3-cyano-N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide Openeye Name: 3-cyano-N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide CAS Name: 3-cyano-N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide IUPAC Name: 3-cyano-N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide Traditional Name: 3-cyano-N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide Formula: C21H15N3O3S2 MolecularWeight: 421.4921

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C21H15N3O3S2/c1-27-17-9-10-19-20(12-17)28-21(23-19)15-5-7-16(8-6-15)24-29(25,26)18-4-2-3-14(11-18)13-22/h2-12,24H,1H3