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

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-4-chloranyl-N-methyl-3-nitro-benzenesulfonamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-4-chloro-N-methyl-3-nitro-benzenesulfonamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-4-chloro-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-4-chloro-N-methyl-3-nitrobenzenesulfonamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-4-chloro-N-methyl-3-nitro-benzenesulfonamide Formula: C15H12ClN3O4S2 MolecularWeight: 397.85648

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H12ClN3O4S2/c1-18(9-15-17-12-4-2-3-5-14(12)24-15)25(22,23)10-6-7-11(16)13(8-10)19(20)21/h2-8H,9H2,1H3