(4-piperidin-1-ylsulfonylphenyl)-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone

Systemtic Name: (4-piperidin-1-ylsulfonylphenyl)-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone Openeye Name: [4-(1-piperidylsulfonyl)phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone CAS Name: [4-(1-piperidinylsulfonyl)phenyl]-[(2S)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]methanone IUPAC Name: (4-piperidin-1-ylsulfonylphenyl)-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone Traditional Name: (4-piperidinosulfonylphenyl)-[(2S)-2-(pyrrolidinomethyl)pyrrolidino]methanone Formula: C21H31N3O3S MolecularWeight: 405.55414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCCC3CN4CCCC4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCC[C@H]3CN4CCCC4

InChI

InChI=1S/C21H31N3O3S/c25-21(24-16-6-7-19(24)17-22-12-4-5-13-22)18-8-10-20(11-9-18)28(26,27)23-14-2-1-3-15-23/h8-11,19H,1-7,12-17H2/t19-/m0/s1