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

Systemtic Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-methoxy-3-nitro-benzenesulfonamide Openeye Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-methoxy-3-nitro-benzenesulfonamide CAS Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-methoxy-3-nitrobenzenesulfonamide IUPAC Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-methoxy-3-nitrobenzenesulfonamide Traditional Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-methoxy-3-nitro-benzenesulfonamide Formula: C21H17N3O5S2 MolecularWeight: 455.50678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)CC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)CC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O5S2/c1-29-19-11-10-16(13-18(19)24(25)26)31(27,28)23-15-8-6-14(7-9-15)12-21-22-17-4-2-3-5-20(17)30-21/h2-11,13,23H,12H2,1H3