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

Systemtic Name: 2-[(4-bromophenyl)sulfonyl-phenethyl-amino]-N-(pyridin-4-ylmethyl)ethanamide Openeye Name: 2-[(4-bromophenyl)sulfonyl-phenethyl-amino]-N-(4-pyridylmethyl)acetamide CAS Name: 2-[(4-bromophenyl)sulfonyl-phenethylamino]-N-(pyridin-4-ylmethyl)acetamide IUPAC Name: 2-[(4-bromophenyl)sulfonyl-phenethylamino]-N-(pyridin-4-ylmethyl)acetamide Traditional Name: 2-[brosyl(phenethyl)amino]-N-(4-pyridylmethyl)acetamide Formula: C22H22BrN3O3S MolecularWeight: 488.39738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CC(=O)NCC2=CC=NC=C2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)CCN(CC(=O)NCC2=CC=NC=C2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H22BrN3O3S/c23-20-6-8-21(9-7-20)30(28,29)26(15-12-18-4-2-1-3-5-18)17-22(27)25-16-19-10-13-24-14-11-19/h1-11,13-14H,12,15-17H2,(H,25,27)