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

Systemtic Name: N-[2-[4-(4-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-ethylsulfonyl-benzamide Openeye Name: N-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-ethylsulfonyl-benzamide CAS Name: N-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)-1-piperazinyl]ethyl]-2-ethylsulfonylbenzamide IUPAC Name: N-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-ethylsulfonylbenzamide Traditional Name: N-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazino]ethyl]-2-esyl-benzamide Formula: C22H25ClN4O3S2 MolecularWeight: 493.0419

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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=CC=C4Cl

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC=C1C(=O)NCCN2CCN(CC2)C3=NC4=C(S3)C=CC=C4Cl

InChI

InChI=1S/C22H25ClN4O3S2/c1-2-32(29,30)19-9-4-3-6-16(19)21(28)24-10-11-26-12-14-27(15-13-26)22-25-20-17(23)7-5-8-18(20)31-22/h3-9H,2,10-15H2,1H3,(H,24,28)