3-[(4-ethanoylphenyl)sulfonylamino]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]propanamide

Systemtic Name: 3-[(4-ethanoylphenyl)sulfonylamino]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]propanamide Openeye Name: 3-[(4-acetylphenyl)sulfonylamino]-N-(1-benzylpiperidin-1-ium-4-yl)propanamide CAS Name: 3-[(4-acetylphenyl)sulfonylamino]-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]propanamide IUPAC Name: 3-[(4-acetylphenyl)sulfonylamino]-N-(1-benzylpiperidin-1-ium-4-yl)propanamide Traditional Name: 3-[(4-acetylphenyl)sulfonylamino]-N-(1-benzylpiperidin-1-ium-4-yl)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)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

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