1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(phenylsulfonyl)propan-1-one

Systemtic Name: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(phenylsulfonyl)propan-1-one Openeye Name: 3-(benzenesulfonyl)-1-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]propan-1-one CAS Name: 3-(benzenesulfonyl)-1-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-1-propanone IUPAC Name: 3-(benzenesulfonyl)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propan-1-one Traditional Name: 1-[4-(1,3-benzothiazol-2-yl)piperidino]-3-besyl-propan-1-one Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)CCS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)CCS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H22N2O3S2/c24-20(12-15-28(25,26)17-6-2-1-3-7-17)23-13-10-16(11-14-23)21-22-18-8-4-5-9-19(18)27-21/h1-9,16H,10-15H2