3-(azepan-1-ium-1-yl)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxy-phenyl]propanamide

Systemtic Name: 3-(azepan-1-ium-1-yl)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxy-phenyl]propanamide Openeye Name: 3-(azepan-1-ium-1-yl)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxy-phenyl]propanamide CAS Name: 3-(1-azepan-1-iumyl)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]propanamide IUPAC Name: 3-(azepan-1-ium-1-yl)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]propanamide Traditional Name: 3-(azepan-1-ium-1-yl)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxy-phenyl]propionamide Formula: C24H34N3O4S+ MolecularWeight: 460.60946

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)OC)NC(=O)CC[NH+]3CCCCCC3

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)OC)NC(=O)CC[NH+]3CCCCCC3

InChI

InChI=1S/C24H33N3O4S/c1-3-27(20-11-7-6-8-12-20)32(29,30)21-13-14-23(31-2)22(19-21)25-24(28)15-18-26-16-9-4-5-10-17-26/h6-8,11-14,19H,3-5,9-10,15-18H2,1-2H3,(H,25,28)/p+1