3-(4-methylphenyl)sulfonyl-1-(2-pyridin-4-ylpyrrolidin-1-yl)propan-1-one

Systemtic Name: 3-(4-methylphenyl)sulfonyl-1-(2-pyridin-4-ylpyrrolidin-1-yl)propan-1-one Openeye Name: 3-(p-tolylsulfonyl)-1-[2-(4-pyridyl)pyrrolidin-1-yl]propan-1-one CAS Name: 3-(4-methylphenyl)sulfonyl-1-(2-pyridin-4-yl-1-pyrrolidinyl)-1-propanone IUPAC Name: 3-(4-methylphenyl)sulfonyl-1-(2-pyridin-4-ylpyrrolidin-1-yl)propan-1-one Traditional Name: 1-[2-(4-pyridyl)pyrrolidino]-3-tosyl-propan-1-one Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N2CCCC2C3=CC=NC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N2CCCC2C3=CC=NC=C3

InChI

InChI=1S/C19H22N2O3S/c1-15-4-6-17(7-5-15)25(23,24)14-10-19(22)21-13-2-3-18(21)16-8-11-20-12-9-16/h4-9,11-12,18H,2-3,10,13-14H2,1H3