2-[(4-bromophenyl)-(phenylsulfonyl)amino]-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: 2-[(4-bromophenyl)-(phenylsulfonyl)amino]-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-4-bromo-anilino]-N-(3-pyridylmethyl)acetamide CAS Name: 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-(N-besyl-4-bromo-anilino)-N-(3-pyridylmethyl)acetamide Formula: C20H18BrN3O3S MolecularWeight: 460.34422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CN=CC=C2)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CN=CC=C2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H18BrN3O3S/c21-17-8-10-18(11-9-17)24(28(26,27)19-6-2-1-3-7-19)15-20(25)23-14-16-5-4-12-22-13-16/h1-13H,14-15H2,(H,23,25)