N-[(4-cycloheptyloxy-3-methoxy-phenyl)methyl]-N-(pyridin-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-[(4-cycloheptyloxy-3-methoxy-phenyl)methyl]-N-(pyridin-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[[4-(cycloheptoxy)-3-methoxy-phenyl]methyl]-N-(2-pyridylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[(4-cycloheptyloxy-3-methoxyphenyl)methyl]-N-(2-pyridinylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[(4-cycloheptyloxy-3-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[4-(cycloheptoxy)-3-methoxy-benzyl]-N-(2-pyridylmethyl)piazthiole-4-sulfonamide Formula: C27H30N4O4S2 MolecularWeight: 538.6815

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN(CC2=CC=CC=N2)S(=O)(=O)C3=CC=CC4=NSN=C43)OC5CCCCCC5

Isomeric SMILES

COC1=C(C=CC(=C1)CN(CC2=CC=CC=N2)S(=O)(=O)C3=CC=CC4=NSN=C43)OC5CCCCCC5

InChI

InChI=1S/C27H30N4O4S2/c1-34-25-17-20(14-15-24(25)35-22-10-4-2-3-5-11-22)18-31(19-21-9-6-7-16-28-21)37(32,33)26-13-8-12-23-27(26)30-36-29-23/h6-9,12-17,22H,2-5,10-11,18-19H2,1H3