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

Systemtic Name: N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-4-methyl-benzenesulfonamide Openeye Name: N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-4-methyl-benzenesulfonamide CAS Name: N-[4-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]butyl]-4-methylbenzenesulfonamide IUPAC Name: N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-4-methylbenzenesulfonamide Traditional Name: N-[4-[4-(1,2-benzothiazol-3-yl)piperazino]butyl]-4-methyl-benzenesulfonamide Formula: C22H28N4O2S2 MolecularWeight: 444.61332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCCCN2CCN(CC2)C3=NSC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCCCN2CCN(CC2)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C22H28N4O2S2/c1-18-8-10-19(11-9-18)30(27,28)23-12-4-5-13-25-14-16-26(17-15-25)22-20-6-2-3-7-21(20)29-24-22/h2-3,6-11,23H,4-5,12-17H2,1H3