3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide

Systemtic Name: 3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide Openeye Name: 3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide CAS Name: 3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-N-[(cyclohexylamino)-oxomethyl]propanamide IUPAC Name: 3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide Traditional Name: N-(cyclohexylcarbamoyl)-3-(4-piazthiol-4-ylsulfonylpiperazino)propionamide Formula: C20H28N6O4S2 MolecularWeight: 480.60412

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NC(=O)CCN2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C1CCC(CC1)NC(=O)NC(=O)CCN2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C20H28N6O4S2/c27-18(22-20(28)21-15-5-2-1-3-6-15)9-10-25-11-13-26(14-12-25)32(29,30)17-8-4-7-16-19(17)24-31-23-16/h4,7-8,15H,1-3,5-6,9-14H2,(H2,21,22,27,28)