N-[2-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-4-ethylsulfonyl-benzamide

Systemtic Name: N-[2-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-4-ethylsulfonyl-benzamide Openeye Name: N-[2-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-4-ethylsulfonyl-benzamide CAS Name: N-[2-[4-(4-ethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]ethyl]-4-ethylsulfonylbenzamide IUPAC Name: N-[2-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-4-ethylsulfonylbenzamide Traditional Name: 4-esyl-N-[2-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazino]ethyl]benzamide Formula: C24H30N4O3S2 MolecularWeight: 486.65

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)CCNC(=O)C4=CC=C(C=C4)S(=O)(=O)CC

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)CCNC(=O)C4=CC=C(C=C4)S(=O)(=O)CC

InChI

InChI=1S/C24H30N4O3S2/c1-3-18-6-5-7-21-22(18)26-24(32-21)28-16-14-27(15-17-28)13-12-25-23(29)19-8-10-20(11-9-19)33(30,31)4-2/h5-11H,3-4,12-17H2,1-2H3,(H,25,29)