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

Systemtic Name: [4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-propan-2-ylsulfonylphenyl)methanone Openeye Name: [4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-isopropylsulfonylphenyl)methanone CAS Name: [4-(4-ethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-(3-propan-2-ylsulfonylphenyl)methanone IUPAC Name: [4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-propan-2-ylsulfonylphenyl)methanone Traditional Name: [4-(4-ethyl-1,3-benzothiazol-2-yl)piperazino]-(3-isopropylsulfonylphenyl)methanone Formula: C23H27N3O3S2 MolecularWeight: 457.60878

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)S(=O)(=O)C(C)C

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)S(=O)(=O)C(C)C

InChI

InChI=1S/C23H27N3O3S2/c1-4-17-7-6-10-20-21(17)24-23(30-20)26-13-11-25(12-14-26)22(27)18-8-5-9-19(15-18)31(28,29)16(2)3/h5-10,15-16H,4,11-14H2,1-3H3