N-(1,3-benzothiazol-2-ylmethyl)-4-chloranyl-N-(4-methoxyphenyl)-3-nitro-benzenesulfonamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-4-chloranyl-N-(4-methoxyphenyl)-3-nitro-benzenesulfonamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-4-chloro-N-(4-methoxyphenyl)-3-nitro-benzenesulfonamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-4-chloro-N-(4-methoxyphenyl)-3-nitrobenzenesulfonamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-4-chloro-N-(4-methoxyphenyl)-3-nitrobenzenesulfonamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-4-chloro-N-(4-methoxyphenyl)-3-nitro-benzenesulfonamide Formula: C21H16ClN3O5S2 MolecularWeight: 489.95184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N(CC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H16ClN3O5S2/c1-30-15-8-6-14(7-9-15)24(13-21-23-18-4-2-3-5-20(18)31-21)32(28,29)16-10-11-17(22)19(12-16)25(26)27/h2-12H,13H2,1H3