[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-yl]-(4-cyclohexylpiperazin-1-yl)methanone

Systemtic Name: [1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-yl]-(4-cyclohexylpiperazin-1-yl)methanone Openeye Name: [1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-3-piperidyl]-(4-cyclohexylpiperazin-1-yl)methanone CAS Name: [1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-3-piperidinyl]-(4-cyclohexyl-1-piperazinyl)methanone IUPAC Name: [1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-yl]-(4-cyclohexylpiperazin-1-yl)methanone Traditional Name: (4-cyclohexylpiperazino)-(1-piazthiol-4-ylsulfonyl-3-piperidyl)methanone Formula: C22H31N5O3S2 MolecularWeight: 477.64324

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C22H31N5O3S2/c28-22(26-14-12-25(13-15-26)18-7-2-1-3-8-18)17-6-5-11-27(16-17)32(29,30)20-10-4-9-19-21(20)24-31-23-19/h4,9-10,17-18H,1-3,5-8,11-16H2