3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2-pyridin-4-ylpyrrolidin-1-yl)propan-1-one

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2-pyridin-4-ylpyrrolidin-1-yl)propan-1-one Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[2-(4-pyridyl)pyrrolidin-1-yl]propan-1-one CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-1-(2-pyridin-4-yl-1-pyrrolidinyl)-1-propanone IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2-pyridin-4-ylpyrrolidin-1-yl)propan-1-one Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[2-(4-pyridyl)pyrrolidino]propan-1-one Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCCC3C4=CC=NC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCCC3C4=CC=NC=C4

InChI

InChI=1S/C24H31N3O3S/c28-24(27-19-5-6-23(27)21-13-15-25-16-14-21)12-9-20-7-10-22(11-8-20)31(29,30)26-17-3-1-2-4-18-26/h7-8,10-11,13-16,23H,1-6,9,12,17-19H2