3-[(4-ethoxyphenyl)sulfonylamino]-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: 3-[(4-ethoxyphenyl)sulfonylamino]-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-[(4-ethoxyphenyl)sulfonylamino]-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-[(4-ethoxyphenyl)sulfonylamino]-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-[(4-ethoxyphenyl)sulfonylamino]-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]-3-(p-phenetylsulfonylamino)propionamide Formula: C24H34N3O4S+ MolecularWeight: 460.60946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCC2=CC=CC=C2C[NH+]3CCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCC2=CC=CC=C2C[NH+]3CCCCC3

InChI

InChI=1S/C24H33N3O4S/c1-2-31-22-10-12-23(13-11-22)32(29,30)26-15-14-24(28)25-18-20-8-4-5-9-21(20)19-27-16-6-3-7-17-27/h4-5,8-13,26H,2-3,6-7,14-19H2,1H3,(H,25,28)/p+1