[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-ethylsulfonylphenyl)methanone

Systemtic Name: [4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-ethylsulfonylphenyl)methanone Openeye Name: [4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-ethylsulfonylphenyl)methanone CAS Name: [4-(4-ethoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-(3-ethylsulfonylphenyl)methanone IUPAC Name: [4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-ethylsulfonylphenyl)methanone Traditional Name: (3-esylphenyl)-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)S(=O)(=O)CC

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)S(=O)(=O)CC

InChI

InChI=1S/C22H25N3O4S2/c1-3-29-18-9-6-10-19-20(18)23-22(30-19)25-13-11-24(12-14-25)21(26)16-7-5-8-17(15-16)31(27,28)4-2/h5-10,15H,3-4,11-14H2,1-2H3