4-chloranyl-2-[cyclohexyl-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methylsulfanyl]methyl]aniline

Systemtic Name: 4-chloranyl-2-[cyclohexyl-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methylsulfanyl]methyl]aniline Openeye Name: 4-chloro-2-[cyclohexyl-[[1-(3,4-dimethoxyphenyl)sulfonyl-4-piperidyl]methylsulfanyl]methyl]aniline CAS Name: 4-chloro-2-[cyclohexyl-[[1-(3,4-dimethoxyphenyl)sulfonyl-4-piperidinyl]methylthio]methyl]aniline IUPAC Name: 4-chloro-2-[cyclohexyl-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methylsulfanyl]methyl]aniline Traditional Name: [4-chloro-2-[cyclohexyl-[[1-(3,4-dimethoxyphenyl)sulfonyl-4-piperidyl]methylthio]methyl]phenyl]amine Formula: C27H37ClN2O4S2 MolecularWeight: 553.17668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)CSC(C3CCCCC3)C4=C(C=CC(=C4)Cl)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)CSC(C3CCCCC3)C4=C(C=CC(=C4)Cl)N)OC

InChI

InChI=1S/C27H37ClN2O4S2/c1-33-25-11-9-22(17-26(25)34-2)36(31,32)30-14-12-19(13-15-30)18-35-27(20-6-4-3-5-7-20)23-16-21(28)8-10-24(23)29/h8-11,16-17,19-20,27H,3-7,12-15,18,29H2,1-2H3