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

Systemtic Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(3-ethoxy-4-propoxy-phenyl)methanone Openeye Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(3-ethoxy-4-propoxy-phenyl)methanone CAS Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-(3-ethoxy-4-propoxyphenyl)methanone IUPAC Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(3-ethoxy-4-propoxyphenyl)methanone Traditional Name: (3-ethoxy-4-propoxy-phenyl)-(4-piazthiol-4-ylsulfonylpiperazino)methanone Formula: C22H26N4O5S2 MolecularWeight: 490.59564

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43)OCC

InChI

InChI=1S/C22H26N4O5S2/c1-3-14-31-18-9-8-16(15-19(18)30-4-2)22(27)25-10-12-26(13-11-25)33(28,29)20-7-5-6-17-21(20)24-32-23-17/h5-9,15H,3-4,10-14H2,1-2H3