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

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-N-(4-bromophenyl)-4-chloranyl-3-nitro-benzenesulfonamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-N-(4-bromophenyl)-4-chloro-3-nitro-benzenesulfonamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-N-(4-bromophenyl)-4-chloro-3-nitrobenzenesulfonamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-N-(4-bromophenyl)-4-chloro-3-nitrobenzenesulfonamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-N-(4-bromophenyl)-4-chloro-3-nitro-benzenesulfonamide Formula: C20H13BrClN3O4S2 MolecularWeight: 538.82192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CN(C3=CC=C(C=C3)Br)S(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CN(C3=CC=C(C=C3)Br)S(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H13BrClN3O4S2/c21-13-5-7-14(8-6-13)24(12-20-23-17-3-1-2-4-19(17)30-20)31(28,29)15-9-10-16(22)18(11-15)25(26)27/h1-11H,12H2