3-(4-morpholin-4-ylsulfonylphenyl)-1-[2-(phenylmethyl)pyrrolidin-1-yl]propan-1-one

Systemtic Name: 3-(4-morpholin-4-ylsulfonylphenyl)-1-[2-(phenylmethyl)pyrrolidin-1-yl]propan-1-one Openeye Name: 1-(2-benzylpyrrolidin-1-yl)-3-(4-morpholinosulfonylphenyl)propan-1-one CAS Name: 3-[4-(4-morpholinylsulfonyl)phenyl]-1-[2-(phenylmethyl)-1-pyrrolidinyl]-1-propanone IUPAC Name: 1-(2-benzylpyrrolidin-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one Traditional Name: 1-(2-benzylpyrrolidino)-3-(4-morpholinosulfonylphenyl)propan-1-one Formula: C24H30N2O4S MolecularWeight: 442.571

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)CC4=CC=CC=C4

Isomeric SMILES

C1CC(N(C1)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H30N2O4S/c27-24(26-14-4-7-22(26)19-21-5-2-1-3-6-21)13-10-20-8-11-23(12-9-20)31(28,29)25-15-17-30-18-16-25/h1-3,5-6,8-9,11-12,22H,4,7,10,13-19H2