N-[4-(1,3-benzothiazol-2-yl)-3-chloranyl-phenyl]-4-propyl-benzenesulfonamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-yl)-3-chloranyl-phenyl]-4-propyl-benzenesulfonamide Openeye Name: N-[4-(1,3-benzothiazol-2-yl)-3-chloro-phenyl]-4-propyl-benzenesulfonamide CAS Name: N-[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]-4-propylbenzenesulfonamide IUPAC Name: N-[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]-4-propylbenzenesulfonamide Traditional Name: N-[4-(1,3-benzothiazol-2-yl)-3-chloro-phenyl]-4-propyl-benzenesulfonamide Formula: C22H19ClN2O2S2 MolecularWeight: 442.98146

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)C3=NC4=CC=CC=C4S3)Cl

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)C3=NC4=CC=CC=C4S3)Cl

InChI

InChI=1S/C22H19ClN2O2S2/c1-2-5-15-8-11-17(12-9-15)29(26,27)25-16-10-13-18(19(23)14-16)22-24-20-6-3-4-7-21(20)28-22/h3-4,6-14,25H,2,5H2,1H3