N-[3-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-3-methyl-benzenesulfonamide

Systemtic Name: N-[3-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-3-methyl-benzenesulfonamide Openeye Name: N-[3-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-3-methyl-benzenesulfonamide CAS Name: N-[3-[2-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]ethyl]phenyl]-3-methylbenzenesulfonamide IUPAC Name: N-[3-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-3-methylbenzenesulfonamide Traditional Name: N-[3-[2-[4-(1,2-benzothiazol-3-yl)piperazino]ethyl]phenyl]-3-methyl-benzenesulfonamide Formula: C26H28N4O2S2 MolecularWeight: 492.65612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)NC2=CC=CC(=C2)CCN3CCN(CC3)C4=NSC5=CC=CC=C54

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)NC2=CC=CC(=C2)CCN3CCN(CC3)C4=NSC5=CC=CC=C54

InChI

InChI=1S/C26H28N4O2S2/c1-20-6-4-9-23(18-20)34(31,32)28-22-8-5-7-21(19-22)12-13-29-14-16-30(17-15-29)26-24-10-2-3-11-25(24)33-27-26/h2-11,18-19,28H,12-17H2,1H3