2-[(3S)-1-[7-[[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]-[(4-methylsulfonylphenyl)methyl]amino]heptyl]pyrrolidin-3-yl]-2,2-diphenyl-ethanamide

Systemtic Name: 2-[(3S)-1-[7-[[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]-[(4-methylsulfonylphenyl)methyl]amino]heptyl]pyrrolidin-3-yl]-2,2-diphenyl-ethanamide Openeye Name: 2-[(3S)-1-[7-[[1-[(2,6-dimethoxyphenyl)methyl]-4-piperidyl]-[(4-methylsulfonylphenyl)methyl]amino]heptyl]pyrrolidin-3-yl]-2,2-diphenyl-acetamide CAS Name: 2-[(3S)-1-[7-[[1-[(2,6-dimethoxyphenyl)methyl]-4-piperidinyl]-[(4-methylsulfonylphenyl)methyl]amino]heptyl]-3-pyrrolidinyl]-2,2-diphenylacetamide IUPAC Name: 2-[(3S)-1-[7-[[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]-[(4-methylsulfonylphenyl)methyl]amino]heptyl]pyrrolidin-3-yl]-2,2-diphenylacetamide Traditional Name: 2-[(3S)-1-[7-[[1-(2,6-dimethoxybenzyl)-4-piperidyl]-(4-mesylbenzyl)amino]heptyl]pyrrolidin-3-yl]-2,2-diphenyl-acetamide Formula: C47H62N4O5S MolecularWeight: 795.08398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)CN2CCC(CC2)N(CCCCCCCN3CCC(C3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C(=O)N)CC6=CC=C(C=C6)S(=O)(=O)C

Isomeric SMILES

COC1=C(C(=CC=C1)OC)CN2CCC(CC2)N(CCCCCCCN3CC[C@H](C3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C(=O)N)CC6=CC=C(C=C6)S(=O)(=O)C

InChI

InChI=1S/C47H62N4O5S/c1-55-44-20-15-21-45(56-2)43(44)36-50-32-27-41(28-33-50)51(34-37-22-24-42(25-23-37)57(3,53)54)30-14-6-4-5-13-29-49-31-26-40(35-49)47(46(48)52,38-16-9-7-10-17-38)39-18-11-8-12-19-39/h7-12,15-25,40-41H,4-6,13-14,26-36H2,1-3H3,(H2,48,52)/t40-/m1/s1