1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(phenylmethyl)sulfonyl-propan-1-one

Systemtic Name: 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(phenylmethyl)sulfonyl-propan-1-one Openeye Name: 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-3-benzylsulfonyl-propan-1-one CAS Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-3-(phenylmethyl)sulfonyl-1-propanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-3-benzylsulfonylpropan-1-one Traditional Name: 1-[4-(1,3-benzothiazol-2-yl)piperazino]-3-benzylsulfonyl-propan-1-one Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=CC=CC=C3S2)C(=O)CCS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC3=CC=CC=C3S2)C(=O)CCS(=O)(=O)CC4=CC=CC=C4

InChI

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