2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonyl-amino]-N-(pyridin-4-ylmethyl)ethanamide

Systemtic Name: 2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonyl-amino]-N-(pyridin-4-ylmethyl)ethanamide Openeye Name: 2-[(4-bromophenyl)methyl-(p-tolylsulfonyl)amino]-N-(4-pyridylmethyl)acetamide CAS Name: 2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide IUPAC Name: 2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide Traditional Name: 2-[(4-bromobenzyl)-tosyl-amino]-N-(4-pyridylmethyl)acetamide Formula: C22H22BrN3O3S MolecularWeight: 488.39738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)Br)CC(=O)NCC3=CC=NC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)Br)CC(=O)NCC3=CC=NC=C3

InChI

InChI=1S/C22H22BrN3O3S/c1-17-2-8-21(9-3-17)30(28,29)26(15-19-4-6-20(23)7-5-19)16-22(27)25-14-18-10-12-24-13-11-18/h2-13H,14-16H2,1H3,(H,25,27)