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

Systemtic Name: 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(phenylsulfonyl)butan-1-one Openeye Name: 4-(benzenesulfonyl)-1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one CAS Name: 4-(benzenesulfonyl)-1-[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(benzenesulfonyl)-1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one Traditional Name: 1-[4-(1,3-benzothiazol-2-yl)piperazino]-4-besyl-butan-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)CCCS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC3=CC=CC=C3S2)C(=O)CCCS(=O)(=O)C4=CC=CC=C4

InChI

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