1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-(4-chlorophenyl)sulfonyl-butan-1-one

Systemtic Name: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-(4-chlorophenyl)sulfonyl-butan-1-one Openeye Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-4-(4-chlorophenyl)sulfonyl-butan-1-one CAS Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-4-(4-chlorophenyl)sulfonyl-1-butanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-(4-chlorophenyl)sulfonylbutan-1-one Traditional Name: 1-[4-(1,3-benzothiazol-2-yl)piperidino]-4-(4-chlorophenyl)sulfonyl-butan-1-one Formula: C22H23ClN2O3S2 MolecularWeight: 463.01262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)CCCS(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)CCCS(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H23ClN2O3S2/c23-17-7-9-18(10-8-17)30(27,28)15-3-6-21(26)25-13-11-16(12-14-25)22-24-19-4-1-2-5-20(19)29-22/h1-2,4-5,7-10,16H,3,6,11-15H2