2-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]carbonylamino]ethyl-(phenylmethyl)-propan-2-yl-azanium

Systemtic Name: 2-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]carbonylamino]ethyl-(phenylmethyl)-propan-2-yl-azanium Openeye Name: benzyl-isopropyl-[2-[[4-[(p-tolylsulfonylamino)methyl]benzoyl]amino]ethyl]ammonium CAS Name: 2-[[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]-oxomethyl]amino]ethyl-(phenylmethyl)-propan-2-ylammonium IUPAC Name: benzyl-[2-[[4-[[(4-methylphenyl)sulfonylamino]methyl]benzoyl]amino]ethyl]-propan-2-ylazanium Traditional Name: benzyl-isopropyl-[2-[[4-[(tosylamino)methyl]benzoyl]amino]ethyl]ammonium Formula: C27H34N3O3S+ MolecularWeight: 480.64216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)NCC[NH+](CC3=CC=CC=C3)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)NCC[NH+](CC3=CC=CC=C3)C(C)C

InChI

InChI=1S/C27H33N3O3S/c1-21(2)30(20-24-7-5-4-6-8-24)18-17-28-27(31)25-13-11-23(12-14-25)19-29-34(32,33)26-15-9-22(3)10-16-26/h4-16,21,29H,17-20H2,1-3H3,(H,28,31)/p+1