4-(1-naphthalen-1-ylsulfonylpiperidin-2-yl)-1-[4-pyridin-4-yl-4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]butan-1-one

Systemtic Name: 4-(1-naphthalen-1-ylsulfonylpiperidin-2-yl)-1-[4-pyridin-4-yl-4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]butan-1-one Openeye Name: 4-[1-(1-naphthylsulfonyl)-2-piperidyl]-1-[4-(4-pyridyl)-4-(2-pyrrolidin-1-ylethoxy)-1-piperidyl]butan-1-one CAS Name: 4-[1-(1-naphthalenylsulfonyl)-2-piperidinyl]-1-[4-pyridin-4-yl-4-[2-(1-pyrrolidinyl)ethoxy]-1-piperidinyl]-1-butanone IUPAC Name: 4-(1-naphthalen-1-ylsulfonylpiperidin-2-yl)-1-[4-pyridin-4-yl-4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]butan-1-one Traditional Name: 4-[1-(1-naphthylsulfonyl)-2-piperidyl]-1-[4-(4-pyridyl)-4-(2-pyrrolidinoethoxy)piperidino]butan-1-one Formula: C35H46N4O4S MolecularWeight: 618.82914

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CCCC(=O)N2CCC(CC2)(C3=CC=NC=C3)OCCN4CCCC4)S(=O)(=O)C5=CC=CC6=CC=CC=C65

Isomeric SMILES

C1CCN(C(C1)CCCC(=O)N2CCC(CC2)(C3=CC=NC=C3)OCCN4CCCC4)S(=O)(=O)C5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C35H46N4O4S/c40-34(38-25-18-35(19-26-38,30-16-20-36-21-17-30)43-28-27-37-22-5-6-23-37)15-8-12-31-11-3-4-24-39(31)44(41,42)33-14-7-10-29-9-1-2-13-32(29)33/h1-2,7,9-10,13-14,16-17,20-21,31H,3-6,8,11-12,15,18-19,22-28H2