N-[2-(4-bromophenyl)sulfanylethyl]-3-(pyridin-3-ylsulfonylamino)propanamide

Systemtic Name: N-[2-(4-bromophenyl)sulfanylethyl]-3-(pyridin-3-ylsulfonylamino)propanamide Openeye Name: N-[2-(4-bromophenyl)sulfanylethyl]-3-(3-pyridylsulfonylamino)propanamide CAS Name: N-[2-[(4-bromophenyl)thio]ethyl]-3-(3-pyridinylsulfonylamino)propanamide IUPAC Name: N-[2-(4-bromophenyl)sulfanylethyl]-3-(pyridin-3-ylsulfonylamino)propanamide Traditional Name: N-[2-[(4-bromophenyl)thio]ethyl]-3-(3-pyridylsulfonylamino)propionamide Formula: C16H18BrN3O3S2 MolecularWeight: 444.36642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)S(=O)(=O)NCCC(=O)NCCSC2=CC=C(C=C2)Br

Isomeric SMILES

C1=CC(=CN=C1)S(=O)(=O)NCCC(=O)NCCSC2=CC=C(C=C2)Br

InChI

InChI=1S/C16H18BrN3O3S2/c17-13-3-5-14(6-4-13)24-11-10-19-16(21)7-9-20-25(22,23)15-2-1-8-18-12-15/h1-6,8,12,20H,7,9-11H2,(H,19,21)