(4-butyl-2-methylsulfonyl-pyrrol-1-yl)-phenyl-methanone

Systemtic Name: (4-butyl-2-methylsulfonyl-pyrrol-1-yl)-phenyl-methanone Openeye Name: (4-butyl-2-methylsulfonyl-pyrrol-1-yl)-phenyl-methanone CAS Name: (4-butyl-2-methylsulfonyl-1-pyrrolyl)-phenylmethanone IUPAC Name: (4-butyl-2-methylsulfonylpyrrol-1-yl)-phenylmethanone Traditional Name: (4-butyl-2-mesyl-pyrrol-1-yl)-phenyl-methanone Formula: C16H19NO3S MolecularWeight: 305.39196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN(C(=C1)S(=O)(=O)C)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCC1=CN(C(=C1)S(=O)(=O)C)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H19NO3S/c1-3-4-8-13-11-15(21(2,19)20)17(12-13)16(18)14-9-6-5-7-10-14/h5-7,9-12H,3-4,8H2,1-2H3