1-[(3-methylphenyl)methyl]-4-(5-piperidin-1-ylsulfonylpyridin-2-yl)piperazine

Systemtic Name: 1-[(3-methylphenyl)methyl]-4-(5-piperidin-1-ylsulfonylpyridin-2-yl)piperazine Openeye Name: 1-(m-tolylmethyl)-4-[5-(1-piperidylsulfonyl)-2-pyridyl]piperazine CAS Name: 1-[(3-methylphenyl)methyl]-4-[5-(1-piperidinylsulfonyl)-2-pyridinyl]piperazine IUPAC Name: 1-[(3-methylphenyl)methyl]-4-(5-piperidin-1-ylsulfonylpyridin-2-yl)piperazine Traditional Name: 1-(3-methylbenzyl)-4-(5-piperidinosulfonyl-2-pyridyl)piperazine Formula: C22H30N4O2S MolecularWeight: 414.5642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C3=NC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C3=NC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H30N4O2S/c1-19-6-5-7-20(16-19)18-24-12-14-25(15-13-24)22-9-8-21(17-23-22)29(27,28)26-10-3-2-4-11-26/h5-9,16-17H,2-4,10-15,18H2,1H3