N-[4-[(1-cyclopentylpiperidin-1-ium-4-yl)methylsulfamoyl]-3-methyl-phenyl]propanamide

Systemtic Name: N-[4-[(1-cyclopentylpiperidin-1-ium-4-yl)methylsulfamoyl]-3-methyl-phenyl]propanamide Openeye Name: N-[4-[(1-cyclopentylpiperidin-1-ium-4-yl)methylsulfamoyl]-3-methyl-phenyl]propanamide CAS Name: N-[4-[(1-cyclopentyl-4-piperidin-1-iumyl)methylsulfamoyl]-3-methylphenyl]propanamide IUPAC Name: N-[4-[(1-cyclopentylpiperidin-1-ium-4-yl)methylsulfamoyl]-3-methylphenyl]propanamide Traditional Name: N-[4-[(1-cyclopentylpiperidin-1-ium-4-yl)methylsulfamoyl]-3-methyl-phenyl]propionamide Formula: C21H34N3O3S+ MolecularWeight: 408.57796

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)S(=O)(=O)NCC2CC[NH+](CC2)C3CCCC3)C

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)S(=O)(=O)NCC2CC[NH+](CC2)C3CCCC3)C

InChI

InChI=1S/C21H33N3O3S/c1-3-21(25)23-18-8-9-20(16(2)14-18)28(26,27)22-15-17-10-12-24(13-11-17)19-6-4-5-7-19/h8-9,14,17,19,22H,3-7,10-13,15H2,1-2H3,(H,23,25)/p+1