1-(4-bromophenyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propan-1-one

Systemtic Name: 1-(4-bromophenyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propan-1-one Openeye Name: 1-(4-bromophenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]propan-1-one CAS Name: 1-(4-bromophenyl)-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]-1-propanone IUPAC Name: 1-(4-bromophenyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylpropan-1-one Traditional Name: 1-(4-bromophenyl)-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]propan-1-one Formula: C18H19BrN2O3S2 MolecularWeight: 455.38906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)Br)SC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)Br)SC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H19BrN2O3S2/c1-13(18(22)14-4-6-15(19)7-5-14)25-17-9-8-16(12-20-17)26(23,24)21-10-2-3-11-21/h4-9,12-13H,2-3,10-11H2,1H3