1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone

Systemtic Name: 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone Openeye Name: 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-isopropylsulfonylphenyl)ethanone CAS Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-2-(4-propan-2-ylsulfonylphenyl)ethanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone Traditional Name: 1-[4-(1,3-benzothiazol-2-yl)piperazino]-2-(4-isopropylsulfonylphenyl)ethanone Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=C(C=C1)CC(=O)N2CCN(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)CC(=O)N2CCN(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H25N3O3S2/c1-16(2)30(27,28)18-9-7-17(8-10-18)15-21(26)24-11-13-25(14-12-24)22-23-19-5-3-4-6-20(19)29-22/h3-10,16H,11-15H2,1-2H3