N-[3-(1,2-diazabicyclo[2.2.2]octan-3-yl)propyl]-2-methoxy-5-sulfamoyl-benzamide

Systemtic Name: N-[3-(1,2-diazabicyclo[2.2.2]octan-3-yl)propyl]-2-methoxy-5-sulfamoyl-benzamide Openeye Name: N-[3-(1,2-diazabicyclo[2.2.2]octan-3-yl)propyl]-2-methoxy-5-sulfamoyl-benzamide CAS Name: N-[3-(1,2-diazabicyclo[2.2.2]octan-3-yl)propyl]-2-methoxy-5-sulfamoylbenzamide IUPAC Name: N-[3-(1,2-diazabicyclo[2.2.2]octan-3-yl)propyl]-2-methoxy-5-sulfamoylbenzamide Traditional Name: N-[3-(1,2-diazabicyclo[2.2.2]octan-3-yl)propyl]-2-methoxy-5-sulfamoyl-benzamide Formula: C17H26N4O4S MolecularWeight: 382.47774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NCCCC2C3CCN(N2)CC3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NCCCC2C3CCN(N2)CC3

InChI

InChI=1S/C17H26N4O4S/c1-25-16-5-4-13(26(18,23)24)11-14(16)17(22)19-8-2-3-15-12-6-9-21(20-15)10-7-12/h4-5,11-12,15,20H,2-3,6-10H2,1H3,(H,19,22)(H2,18,23,24)