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

Systemtic Name: 1-[(2-methylphenyl)methyl]-4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperazine Openeye Name: 1-(o-tolylmethyl)-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)piperazine CAS Name: 1-[(2-methylphenyl)methyl]-4-[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]piperazine IUPAC Name: 1-[(2-methylphenyl)methyl]-4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperazine Traditional Name: 1-(2-methylbenzyl)-4-(5-pyrrolidinosulfonyl-2-pyridyl)piperazine Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C3=NC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C3=NC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H28N4O2S/c1-18-6-2-3-7-19(18)17-23-12-14-24(15-13-23)21-9-8-20(16-22-21)28(26,27)25-10-4-5-11-25/h2-3,6-9,16H,4-5,10-15,17H2,1H3