3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-[1-(phenylmethyl)piperidin-4-yl]propanamide

Systemtic Name: 3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-[1-(phenylmethyl)piperidin-4-yl]propanamide Openeye Name: 3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(1-benzyl-4-piperidyl)propanamide CAS Name: 3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-[1-(phenylmethyl)-4-piperidinyl]propanamide IUPAC Name: 3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(1-benzylpiperidin-4-yl)propanamide Traditional Name: N-(1-benzyl-4-piperidyl)-3-(piazthiol-4-ylsulfonylamino)propionamide Formula: C21H25N5O3S2 MolecularWeight: 459.5849

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)CCNS(=O)(=O)C2=CC=CC3=NSN=C32)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1NC(=O)CCNS(=O)(=O)C2=CC=CC3=NSN=C32)CC4=CC=CC=C4

InChI

InChI=1S/C21H25N5O3S2/c27-20(23-17-10-13-26(14-11-17)15-16-5-2-1-3-6-16)9-12-22-31(28,29)19-8-4-7-18-21(19)25-30-24-18/h1-8,17,22H,9-15H2,(H,23,27)