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

Systemtic Name: N-[2-[4-(6-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-4-ethylsulfonyl-benzamide Openeye Name: N-[2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-4-ethylsulfonyl-benzamide CAS Name: N-[2-[4-(6-chloro-1,3-benzothiazol-2-yl)-1-piperazinyl]ethyl]-4-ethylsulfonylbenzamide IUPAC Name: N-[2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-4-ethylsulfonylbenzamide Traditional Name: N-[2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazino]ethyl]-4-esyl-benzamide Formula: C22H25ClN4O3S2 MolecularWeight: 493.0419

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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