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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)S(=O)(=O)C(C)C

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)S(=O)(=O)C(C)C

InChI

InChI=1S/C22H25N3O3S2/c1-15(2)30(27,28)18-9-7-17(8-10-18)21(26)24-11-13-25(14-12-24)22-23-20-16(3)5-4-6-19(20)29-22/h4-10,15H,11-14H2,1-3H3