1-[3-[2-(dipropylamino)ethyl]-1-(4-methylphenyl)sulfonyl-pyrrol-2-yl]ethanone

Systemtic Name: 1-[3-[2-(dipropylamino)ethyl]-1-(4-methylphenyl)sulfonyl-pyrrol-2-yl]ethanone Openeye Name: 1-[3-[2-(dipropylamino)ethyl]-1-(p-tolylsulfonyl)pyrrol-2-yl]ethanone CAS Name: 1-[3-[2-(dipropylamino)ethyl]-1-(4-methylphenyl)sulfonyl-2-pyrrolyl]ethanone IUPAC Name: 1-[3-[2-(dipropylamino)ethyl]-1-(4-methylphenyl)sulfonylpyrrol-2-yl]ethanone Traditional Name: 1-[3-[2-(dipropylamino)ethyl]-1-tosyl-pyrrol-2-yl]ethanone Formula: C21H30N2O3S MolecularWeight: 390.5395

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)CCC1=C(N(C=C1)S(=O)(=O)C2=CC=C(C=C2)C)C(=O)C

Isomeric SMILES

CCCN(CCC)CCC1=C(N(C=C1)S(=O)(=O)C2=CC=C(C=C2)C)C(=O)C

InChI

InChI=1S/C21H30N2O3S/c1-5-13-22(14-6-2)15-11-19-12-16-23(21(19)18(4)24)27(25,26)20-9-7-17(3)8-10-20/h7-10,12,16H,5-6,11,13-15H2,1-4H3