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

Systemtic Name: 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(phenylmethyl)sulfonyl-butan-1-one Openeye Name: 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-4-benzylsulfonyl-butan-1-one CAS Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-4-(phenylmethyl)sulfonyl-1-butanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-4-benzylsulfonylbutan-1-one Traditional Name: 1-[4-(1,3-benzothiazol-2-yl)piperazino]-4-benzylsulfonyl-butan-1-one Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3S2/c26-21(11-6-16-30(27,28)17-18-7-2-1-3-8-18)24-12-14-25(15-13-24)22-23-19-9-4-5-10-20(19)29-22/h1-5,7-10H,6,11-17H2