3-(4-methylphenyl)sulfonyl-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(4-methylphenyl)sulfonyl-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 3-(p-tolylsulfonyl)-1-[4-(4-pyridylmethyl)piperazin-1-yl]propan-1-one CAS Name: 3-(4-methylphenyl)sulfonyl-1-[4-(pyridin-4-ylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-methylphenyl)sulfonyl-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propan-1-one Traditional Name: 1-[4-(4-pyridylmethyl)piperazino]-3-tosyl-propan-1-one Formula: C20H25N3O3S MolecularWeight: 387.4958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N2CCN(CC2)CC3=CC=NC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N2CCN(CC2)CC3=CC=NC=C3

InChI

InChI=1S/C20H25N3O3S/c1-17-2-4-19(5-3-17)27(25,26)15-8-20(24)23-13-11-22(12-14-23)16-18-6-9-21-10-7-18/h2-7,9-10H,8,11-16H2,1H3