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

Systemtic Name: N-[2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-3-ethylsulfonyl-benzamide Openeye Name: N-[2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-3-ethylsulfonyl-benzamide CAS Name: N-[2-[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]ethyl]-3-ethylsulfonylbenzamide IUPAC Name: N-[2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-3-ethylsulfonylbenzamide Traditional Name: N-[2-[4-(1,3-benzothiazol-2-yl)piperazino]ethyl]-3-esyl-benzamide Formula: C22H26N4O3S2 MolecularWeight: 458.59684

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC(=C1)C(=O)NCCN2CCN(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC(=C1)C(=O)NCCN2CCN(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H26N4O3S2/c1-2-31(28,29)18-7-5-6-17(16-18)21(27)23-10-11-25-12-14-26(15-13-25)22-24-19-8-3-4-9-20(19)30-22/h3-9,16H,2,10-15H2,1H3,(H,23,27)