N-[6-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-1,3-benzothiazol-2-yl]methanesulfonamide

Systemtic Name: N-[6-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-1,3-benzothiazol-2-yl]methanesulfonamide Openeye Name: N-[6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1,3-benzothiazol-2-yl]methanesulfonamide CAS Name: N-[6-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]-1,3-benzothiazol-2-yl]methanesulfonamide IUPAC Name: N-[6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1,3-benzothiazol-2-yl]methanesulfonamide Traditional Name: N-[6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1,3-benzothiazol-2-yl]methanesulfonamide Formula: C19H19ClN4O3S2 MolecularWeight: 450.96216

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CS(=O)(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C19H19ClN4O3S2/c1-29(26,27)22-19-21-16-6-5-13(11-17(16)28-19)18(25)24-9-7-23(8-10-24)15-4-2-3-14(20)12-15/h2-6,11-12H,7-10H2,1H3,(H,21,22)