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

Systemtic Name: 3-[(4-ethanoylphenyl)sulfonylamino]-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-[(4-acetylphenyl)sulfonylamino]-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-[(4-acetylphenyl)sulfonylamino]-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-[(4-acetylphenyl)sulfonylamino]-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-[(4-acetylphenyl)sulfonylamino]-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]propionamide Formula: C23H30N3O4S+ MolecularWeight: 444.567

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

InChI

InChI=1S/C23H29N3O4S/c1-18(27)19-8-10-22(11-9-19)31(29,30)25-13-12-23(28)24-16-20-6-2-3-7-21(20)17-26-14-4-5-15-26/h2-3,6-11,25H,4-5,12-17H2,1H3,(H,24,28)/p+1