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

Systemtic Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-(phenylsulfonyl)propan-1-one Openeye Name: 3-(benzenesulfonyl)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]propan-1-one CAS Name: 3-(benzenesulfonyl)-1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(benzenesulfonyl)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]propan-1-one Traditional Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazino]-3-besyl-propan-1-one Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3S2)C(=O)CCS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3S2)C(=O)CCS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O3S2/c25-21(10-15-29(26,27)17-6-2-1-3-7-17)24-13-11-23(12-14-24)16-20-22-18-8-4-5-9-19(18)28-20/h1-9H,10-16H2