N-[2-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-ethylsulfonyl-benzamide

Systemtic Name: N-[2-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-ethylsulfonyl-benzamide Openeye Name: N-[2-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-ethylsulfonyl-benzamide CAS Name: N-[2-[4-(6-ethoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]ethyl]-2-ethylsulfonylbenzamide IUPAC Name: N-[2-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-ethylsulfonylbenzamide Traditional Name: 2-esyl-N-[2-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazino]ethyl]benzamide Formula: C24H30N4O4S2 MolecularWeight: 502.6494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)CCNC(=O)C4=CC=CC=C4S(=O)(=O)CC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)CCNC(=O)C4=CC=CC=C4S(=O)(=O)CC

InChI

InChI=1S/C24H30N4O4S2/c1-3-32-18-9-10-20-21(17-18)33-24(26-20)28-15-13-27(14-16-28)12-11-25-23(29)19-7-5-6-8-22(19)34(30,31)4-2/h5-10,17H,3-4,11-16H2,1-2H3,(H,25,29)