[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(3,4-diethoxyphenyl)methanone

Systemtic Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(3,4-diethoxyphenyl)methanone Openeye Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(3,4-diethoxyphenyl)methanone CAS Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-(3,4-diethoxyphenyl)methanone IUPAC Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(3,4-diethoxyphenyl)methanone Traditional Name: (3,4-diethoxyphenyl)-(4-piazthiol-4-ylsulfonylpiperazino)methanone Formula: C21H24N4O5S2 MolecularWeight: 476.56906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43)OCC

InChI

InChI=1S/C21H24N4O5S2/c1-3-29-17-9-8-15(14-18(17)30-4-2)21(26)24-10-12-25(13-11-24)32(27,28)19-7-5-6-16-20(19)23-31-22-16/h5-9,14H,3-4,10-13H2,1-2H3