1-[3,5-bis(chloranyl)pyridin-4-yl]-4-(4-pentylphenyl)sulfonyl-piperazine

Systemtic Name: 1-[3,5-bis(chloranyl)pyridin-4-yl]-4-(4-pentylphenyl)sulfonyl-piperazine Openeye Name: 1-(3,5-dichloro-4-pyridyl)-4-(4-pentylphenyl)sulfonyl-piperazine CAS Name: 1-(3,5-dichloro-4-pyridinyl)-4-(4-pentylphenyl)sulfonylpiperazine IUPAC Name: 1-(3,5-dichloropyridin-4-yl)-4-(4-pentylphenyl)sulfonylpiperazine Traditional Name: 1-(4-amylphenyl)sulfonyl-4-(3,5-dichloro-4-pyridyl)piperazine Formula: C20H25Cl2N3O2S MolecularWeight: 442.4024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=NC=C3Cl)Cl

Isomeric SMILES

CCCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=NC=C3Cl)Cl

InChI

InChI=1S/C20H25Cl2N3O2S/c1-2-3-4-5-16-6-8-17(9-7-16)28(26,27)25-12-10-24(11-13-25)20-18(21)14-23-15-19(20)22/h6-9,14-15H,2-5,10-13H2,1H3