5-[1-(phenylsulfonyl)heptyl]-3,4-dihydro-2H-pyrrole

Systemtic Name: 5-[1-(phenylsulfonyl)heptyl]-3,4-dihydro-2H-pyrrole Openeye Name: 5-[1-(benzenesulfonyl)heptyl]-3,4-dihydro-2H-pyrrole CAS Name: 5-[1-(benzenesulfonyl)heptyl]-3,4-dihydro-2H-pyrrole IUPAC Name: 5-[1-(benzenesulfonyl)heptyl]-3,4-dihydro-2H-pyrrole Traditional Name: 2-(1-besylheptyl)-1-pyrroline Formula: C17H25NO2S MolecularWeight: 307.4509

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C1=NCCC1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCC(C1=NCCC1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H25NO2S/c1-2-3-4-8-13-17(16-12-9-14-18-16)21(19,20)15-10-6-5-7-11-15/h5-7,10-11,17H,2-4,8-9,12-14H2,1H3