2-[3-oxidanyl-3-[1-(phenylsulfonyl)pyrrol-3-yl]heptan-2-yl]cyclopentan-1-one

Systemtic Name: 2-[3-oxidanyl-3-[1-(phenylsulfonyl)pyrrol-3-yl]heptan-2-yl]cyclopentan-1-one Openeye Name: 2-[2-[1-(benzenesulfonyl)pyrrol-3-yl]-2-hydroxy-1-methyl-hexyl]cyclopentanone CAS Name: 2-[3-[1-(benzenesulfonyl)-3-pyrrolyl]-3-hydroxyheptan-2-yl]-1-cyclopentanone IUPAC Name: 2-[3-[1-(benzenesulfonyl)pyrrol-3-yl]-3-hydroxyheptan-2-yl]cyclopentan-1-one Traditional Name: 2-[2-(1-besylpyrrol-3-yl)-2-hydroxy-1-methyl-hexyl]cyclopentanone Formula: C22H29NO4S MolecularWeight: 403.53496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CN(C=C1)S(=O)(=O)C2=CC=CC=C2)(C(C)C3CCCC3=O)O

Isomeric SMILES

CCCCC(C1=CN(C=C1)S(=O)(=O)C2=CC=CC=C2)(C(C)C3CCCC3=O)O

InChI

InChI=1S/C22H29NO4S/c1-3-4-14-22(25,17(2)20-11-8-12-21(20)24)18-13-15-23(16-18)28(26,27)19-9-6-5-7-10-19/h5-7,9-10,13,15-17,20,25H,3-4,8,11-12,14H2,1-2H3