4-(1,3-benzothiazol-2-yl)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]butan-1-one

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 4-(1,3-benzothiazol-2-yl)-1-(4-benzylsulfonylpiperazin-1-yl)butan-1-one CAS Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: 4-(1,3-benzothiazol-2-yl)-1-(4-benzylsulfonylpiperazin-1-yl)butan-1-one Traditional Name: 4-(1,3-benzothiazol-2-yl)-1-(4-benzylsulfonylpiperazino)butan-1-one Formula: C22H25N3O3S2 MolecularWeight: 443.5822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCC2=NC3=CC=CC=C3S2)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CCCC2=NC3=CC=CC=C3S2)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O3S2/c26-22(12-6-11-21-23-19-9-4-5-10-20(19)29-21)24-13-15-25(16-14-24)30(27,28)17-18-7-2-1-3-8-18/h1-5,7-10H,6,11-17H2