1-[6-[(3-methoxyphenyl)methylsulfanyl]pyridin-3-yl]sulfonyl-4-(phenylmethyl)piperazine

Systemtic Name: 1-[6-[(3-methoxyphenyl)methylsulfanyl]pyridin-3-yl]sulfonyl-4-(phenylmethyl)piperazine Openeye Name: 1-benzyl-4-[[6-[(3-methoxyphenyl)methylsulfanyl]-3-pyridyl]sulfonyl]piperazine CAS Name: 1-[[6-[(3-methoxyphenyl)methylthio]-3-pyridinyl]sulfonyl]-4-(phenylmethyl)piperazine IUPAC Name: 1-benzyl-4-[6-[(3-methoxyphenyl)methylsulfanyl]pyridin-3-yl]sulfonylpiperazine Traditional Name: 1-benzyl-4-[[6-(m-anisylthio)-3-pyridyl]sulfonyl]piperazine Formula: C24H27N3O3S2 MolecularWeight: 469.61948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CSC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)CSC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O3S2/c1-30-22-9-5-8-21(16-22)19-31-24-11-10-23(17-25-24)32(28,29)27-14-12-26(13-15-27)18-20-6-3-2-4-7-20/h2-11,16-17H,12-15,18-19H2,1H3