N-(4-methylsulfanylphenyl)-1-methylsulfonyl-N-[3-[4-[(4-methylsulfonylphenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide

Systemtic Name: N-(4-methylsulfanylphenyl)-1-methylsulfonyl-N-[3-[4-[(4-methylsulfonylphenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide Openeye Name: N-(4-methylsulfanylphenyl)-1-methylsulfonyl-N-[3-[4-[(4-methylsulfonylphenyl)methyl]-1-piperidyl]propyl]piperidine-4-carboxamide CAS Name: 1-methylsulfonyl-N-[3-[4-[(4-methylsulfonylphenyl)methyl]-1-piperidinyl]propyl]-N-[4-(methylthio)phenyl]-4-piperidinecarboxamide IUPAC Name: N-(4-methylsulfanylphenyl)-1-methylsulfonyl-N-[3-[4-[(4-methylsulfonylphenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide Traditional Name: 1-mesyl-N-[3-[4-(4-mesylbenzyl)piperidino]propyl]-N-[4-(methylthio)phenyl]isonipecotamide Formula: C30H43N3O5S3 MolecularWeight: 621.87452

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)N(CCCN2CCC(CC2)CC3=CC=C(C=C3)S(=O)(=O)C)C(=O)C4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

CSC1=CC=C(C=C1)N(CCCN2CCC(CC2)CC3=CC=C(C=C3)S(=O)(=O)C)C(=O)C4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C30H43N3O5S3/c1-39-28-9-7-27(8-10-28)33(30(34)26-15-21-32(22-16-26)41(3,37)38)18-4-17-31-19-13-25(14-20-31)23-24-5-11-29(12-6-24)40(2,35)36/h5-12,25-26H,4,13-23H2,1-3H3