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

Systemtic Name: 3-[(4-methylphenyl)sulfonylamino]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]propanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(p-tolylsulfonylamino)propanamide CAS Name: 3-[(4-methylphenyl)sulfonylamino]-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]propanamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-[(4-methylphenyl)sulfonylamino]propanamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(tosylamino)propionamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O3S/c1-18-7-9-21(10-8-18)29(27,28)23-14-11-22(26)24-20-12-15-25(16-13-20)17-19-5-3-2-4-6-19/h2-10,20,23H,11-17H2,1H3,(H,24,26)/p+1