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

Systemtic Name: 3-[(4-methylphenyl)sulfonylamino]-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3-(p-tolylsulfonylamino)propanamide CAS Name: 3-[(4-methylphenyl)sulfonylamino]-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-[(4-methylphenyl)sulfonylamino]-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]-3-(tosylamino)propionamide Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C23H31N3O3S/c1-19-5-11-22(12-6-19)30(28,29)25-14-13-23(27)24-17-20-7-9-21(10-8-20)18-26-15-3-2-4-16-26/h5-12,25H,2-4,13-18H2,1H3,(H,24,27)/p+1