1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-piperidin-1-ylsulfonylindol-1-yl)propan-1-one

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-piperidin-1-ylsulfonylindol-1-yl)propan-1-one Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[5-(1-piperidylsulfonyl)indol-1-yl]propan-1-one CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[5-(1-piperidinylsulfonyl)-1-indolyl]-1-propanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-piperidin-1-ylsulfonylindol-1-yl)propan-1-one Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-piperidinosulfonylindol-1-yl)propan-1-one Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C=C3)CCC(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C=C3)CCC(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C25H29N3O3S/c29-25(27-16-10-20-6-2-3-7-22(20)19-27)12-17-26-15-11-21-18-23(8-9-24(21)26)32(30,31)28-13-4-1-5-14-28/h2-3,6-9,11,15,18H,1,4-5,10,12-14,16-17,19H2