3-methyl-1-[4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperazin-1-yl]butan-1-one

Systemtic Name: 3-methyl-1-[4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperazin-1-yl]butan-1-one Openeye Name: 3-methyl-1-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)piperazin-1-yl]butan-1-one CAS Name: 3-methyl-1-[4-[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]-1-piperazinyl]-1-butanone IUPAC Name: 3-methyl-1-[4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperazin-1-yl]butan-1-one Traditional Name: 3-methyl-1-[4-(5-pyrrolidinosulfonyl-2-pyridyl)piperazino]butan-1-one Formula: C18H28N4O3S MolecularWeight: 380.50492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C2=NC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C2=NC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H28N4O3S/c1-15(2)13-18(23)21-11-9-20(10-12-21)17-6-5-16(14-19-17)26(24,25)22-7-3-4-8-22/h5-6,14-15H,3-4,7-13H2,1-2H3