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

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-methoxy-2-nitro-benzenesulfonamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-methoxy-2-nitro-benzenesulfonamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-methoxy-2-nitrobenzenesulfonamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-methoxy-2-nitrobenzenesulfonamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-methoxy-2-nitro-benzenesulfonamide Formula: C20H15N3O5S2 MolecularWeight: 441.4802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O5S2/c1-28-13-10-11-19(17(12-13)23(24)25)30(26,27)22-15-7-3-2-6-14(15)20-21-16-8-4-5-9-18(16)29-20/h2-12,22H,1H3