1-(phenylmethyl)-4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperazine hydrochloride

Systemtic Name: 1-(phenylmethyl)-4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperazine hydrochloride Openeye Name: 1-benzyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)piperazine hydrochloride CAS Name: 1-(phenylmethyl)-4-[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]piperazine hydrochloride IUPAC Name: 1-benzyl-4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperazine hydrochloride Traditional Name: 1-benzyl-4-(5-pyrrolidinosulfonyl-2-pyridyl)piperazine hydrochloride Formula: C20H27ClN4O2S MolecularWeight: 422.97198

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4.Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4.Cl

InChI

InChI=1S/C20H26N4O2S.ClH/c25-27(26,24-10-4-5-11-24)19-8-9-20(21-16-19)23-14-12-22(13-15-23)17-18-6-2-1-3-7-18;/h1-3,6-9,16H,4-5,10-15,17H2;1H