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

Systemtic Name: N-[2-[4-(6-bromanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-ethylsulfonyl-benzamide Openeye Name: N-[2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-ethylsulfonyl-benzamide CAS Name: N-[2-[4-(6-bromo-1,3-benzothiazol-2-yl)-1-piperazinyl]ethyl]-2-ethylsulfonylbenzamide IUPAC Name: N-[2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-ethylsulfonylbenzamide Traditional Name: N-[2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazino]ethyl]-2-esyl-benzamide Formula: C22H25BrN4O3S2 MolecularWeight: 537.4929

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC=C1C(=O)NCCN2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)Br

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC=C1C(=O)NCCN2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)Br

InChI

InChI=1S/C22H25BrN4O3S2/c1-2-32(29,30)20-6-4-3-5-17(20)21(28)24-9-10-26-11-13-27(14-12-26)22-25-18-8-7-16(23)15-19(18)31-22/h3-8,15H,2,9-14H2,1H3,(H,24,28)