9-[3-[(2S)-1-naphthalen-1-ylsulfonylpyrrolidin-2-yl]propylsulfonyl]-3-pyridin-4-yl-3,9-diazaspiro[5.5]undecane

Systemtic Name: 9-[3-[(2S)-1-naphthalen-1-ylsulfonylpyrrolidin-2-yl]propylsulfonyl]-3-pyridin-4-yl-3,9-diazaspiro[5.5]undecane Openeye Name: 9-[3-[(2S)-1-(1-naphthylsulfonyl)pyrrolidin-2-yl]propylsulfonyl]-3-(4-pyridyl)-3,9-diazaspiro[5.5]undecane CAS Name: 9-[3-[(2S)-1-(1-naphthalenylsulfonyl)-2-pyrrolidinyl]propylsulfonyl]-3-pyridin-4-yl-3,9-diazaspiro[5.5]undecane IUPAC Name: 9-[3-[(2S)-1-naphthalen-1-ylsulfonylpyrrolidin-2-yl]propylsulfonyl]-3-pyridin-4-yl-3,9-diazaspiro[5.5]undecane Traditional Name: 9-[3-[(2S)-1-(1-naphthylsulfonyl)pyrrolidin-2-yl]propylsulfonyl]-3-(4-pyridyl)-3,9-diazaspiro[5.5]undecane Formula: C31H40N4O4S2 MolecularWeight: 596.8037

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=CC3=CC=CC=C32)CCCS(=O)(=O)N4CCC5(CCN(CC5)C6=CC=NC=C6)CC4

Isomeric SMILES

C1C[C@H](N(C1)S(=O)(=O)C2=CC=CC3=CC=CC=C32)CCCS(=O)(=O)N4CCC5(CCN(CC5)C6=CC=NC=C6)CC4

InChI

InChI=1S/C31H40N4O4S2/c36-40(37,34-23-16-31(17-24-34)14-21-33(22-15-31)27-12-18-32-19-13-27)25-5-9-28-8-4-20-35(28)41(38,39)30-11-3-7-26-6-1-2-10-29(26)30/h1-3,6-7,10-13,18-19,28H,4-5,8-9,14-17,20-25H2/t28-/m0/s1