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

Systemtic Name: N-(3-ethylphenyl)-1-methylsulfonyl-N-[3-[4-[(4-methylsulfonylphenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide Openeye Name: N-(3-ethylphenyl)-1-methylsulfonyl-N-[3-[4-[(4-methylsulfonylphenyl)methyl]-1-piperidyl]propyl]piperidine-4-carboxamide CAS Name: N-(3-ethylphenyl)-1-methylsulfonyl-N-[3-[4-[(4-methylsulfonylphenyl)methyl]-1-piperidinyl]propyl]-4-piperidinecarboxamide IUPAC Name: N-(3-ethylphenyl)-1-methylsulfonyl-N-[3-[4-[(4-methylsulfonylphenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide Traditional Name: N-(3-ethylphenyl)-1-mesyl-N-[3-[4-(4-mesylbenzyl)piperidino]propyl]isonipecotamide Formula: C31H45N3O5S2 MolecularWeight: 603.8361

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)N(CCCN2CCC(CC2)CC3=CC=C(C=C3)S(=O)(=O)C)C(=O)C4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

CCC1=CC(=CC=C1)N(CCCN2CCC(CC2)CC3=CC=C(C=C3)S(=O)(=O)C)C(=O)C4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C31H45N3O5S2/c1-4-25-7-5-8-29(24-25)34(31(35)28-15-21-33(22-16-28)41(3,38)39)18-6-17-32-19-13-27(14-20-32)23-26-9-11-30(12-10-26)40(2,36)37/h5,7-12,24,27-28H,4,6,13-23H2,1-3H3