5-(1,3-benzothiazol-2-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pentan-1-one

Systemtic Name: 5-(1,3-benzothiazol-2-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pentan-1-one Openeye Name: 5-(1,3-benzothiazol-2-yl)-1-[4-(2-thienylsulfonyl)piperazin-1-yl]pentan-1-one CAS Name: 5-(1,3-benzothiazol-2-yl)-1-(4-thiophen-2-ylsulfonyl-1-piperazinyl)-1-pentanone IUPAC Name: 5-(1,3-benzothiazol-2-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pentan-1-one Traditional Name: 5-(1,3-benzothiazol-2-yl)-1-[4-(2-thienylsulfonyl)piperazino]pentan-1-one Formula: C20H23N3O3S3 MolecularWeight: 449.60992

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCCC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C(=O)CCCCC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H23N3O3S3/c24-19(9-4-3-8-18-21-16-6-1-2-7-17(16)28-18)22-11-13-23(14-12-22)29(25,26)20-10-5-15-27-20/h1-2,5-7,10,15H,3-4,8-9,11-14H2