1-[6-[[(2R)-oxan-2-yl]methylsulfanyl]pyridin-3-yl]sulfonyl-4-(phenylmethyl)piperazine

Systemtic Name: 1-[6-[[(2R)-oxan-2-yl]methylsulfanyl]pyridin-3-yl]sulfonyl-4-(phenylmethyl)piperazine Openeye Name: 1-benzyl-4-[[6-[[(2R)-tetrahydropyran-2-yl]methylsulfanyl]-3-pyridyl]sulfonyl]piperazine CAS Name: 1-[[6-[[(2R)-2-oxanyl]methylthio]-3-pyridinyl]sulfonyl]-4-(phenylmethyl)piperazine IUPAC Name: 1-benzyl-4-[6-[[(2R)-oxan-2-yl]methylsulfanyl]pyridin-3-yl]sulfonylpiperazine Traditional Name: 1-benzyl-4-[[6-[[(2R)-tetrahydropyran-2-yl]methylthio]-3-pyridyl]sulfonyl]piperazine Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)CSC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCO[C@H](C1)CSC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H29N3O3S2/c26-30(27,25-13-11-24(12-14-25)17-19-6-2-1-3-7-19)21-9-10-22(23-16-21)29-18-20-8-4-5-15-28-20/h1-3,6-7,9-10,16,20H,4-5,8,11-15,17-18H2/t20-/m1/s1