[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(4-ethoxy-3-methoxy-phenyl)methanone

Systemtic Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(4-ethoxy-3-methoxy-phenyl)methanone Openeye Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(4-ethoxy-3-methoxy-phenyl)methanone CAS Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-(4-ethoxy-3-methoxyphenyl)methanone IUPAC Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(4-ethoxy-3-methoxyphenyl)methanone Traditional Name: (4-ethoxy-3-methoxy-phenyl)-(4-piazthiol-4-ylsulfonylpiperazino)methanone Formula: C20H22N4O5S2 MolecularWeight: 462.54248

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O5S2/c1-3-29-16-8-7-14(13-17(16)28-2)20(25)23-9-11-24(12-10-23)31(26,27)18-6-4-5-15-19(18)22-30-21-15/h4-8,13H,3,9-12H2,1-2H3