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

Systemtic Name: [1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-yl]-(4-cyclopentylpiperazin-1-yl)methanone Openeye Name: [1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-3-piperidyl]-(4-cyclopentylpiperazin-1-yl)methanone CAS Name: [1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-3-piperidinyl]-(4-cyclopentyl-1-piperazinyl)methanone IUPAC Name: [1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-yl]-(4-cyclopentylpiperazin-1-yl)methanone Traditional Name: (4-cyclopentylpiperazino)-(1-piazthiol-4-ylsulfonyl-3-piperidyl)methanone Formula: C21H29N5O3S2 MolecularWeight: 463.61666

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2CCN(CC2)C(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

C1CCC(C1)N2CCN(CC2)C(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C21H29N5O3S2/c27-21(25-13-11-24(12-14-25)17-6-1-2-7-17)16-5-4-10-26(15-16)31(28,29)19-9-3-8-18-20(19)23-30-22-18/h3,8-9,16-17H,1-2,4-7,10-15H2