1-methylsulfonyl-N-phenyl-N-[3-[4-[(4-propan-2-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide

Systemtic Name: 1-methylsulfonyl-N-phenyl-N-[3-[4-[(4-propan-2-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide Openeye Name: N-[3-[4-[(4-isopropylsulfonylphenyl)methyl]-1-piperidyl]propyl]-1-methylsulfonyl-N-phenyl-piperidine-4-carboxamide CAS Name: 1-methylsulfonyl-N-phenyl-N-[3-[4-[(4-propan-2-ylsulfonylphenyl)methyl]-1-piperidinyl]propyl]-4-piperidinecarboxamide IUPAC Name: 1-methylsulfonyl-N-phenyl-N-[3-[4-[(4-propan-2-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide Traditional Name: N-[3-[4-(4-isopropylsulfonylbenzyl)piperidino]propyl]-1-mesyl-N-phenyl-isonipecotamide Formula: C31H45N3O5S2 MolecularWeight: 603.8361

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=C(C=C1)CC2CCN(CC2)CCCN(C3=CC=CC=C3)C(=O)C4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)CC2CCN(CC2)CCCN(C3=CC=CC=C3)C(=O)C4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C31H45N3O5S2/c1-25(2)41(38,39)30-12-10-26(11-13-30)24-27-14-20-32(21-15-27)18-7-19-34(29-8-5-4-6-9-29)31(35)28-16-22-33(23-17-28)40(3,36)37/h4-6,8-13,25,27-28H,7,14-24H2,1-3H3