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

Systemtic Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone Openeye Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone CAS Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-(4-tert-butylphenyl)methanone IUPAC Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone Traditional Name: (4-tert-butylphenyl)-(4-piazthiol-4-ylsulfonylpiperazino)methanone Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O3S2/c1-21(2,3)16-9-7-15(8-10-16)20(26)24-11-13-25(14-12-24)30(27,28)18-6-4-5-17-19(18)23-29-22-17/h4-10H,11-14H2,1-3H3