5-(3-butylsulfonylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carbonitrile

Systemtic Name: 5-(3-butylsulfonylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carbonitrile Openeye Name: 5-(3-butylsulfonylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carbonitrile CAS Name: 5-[(3-butylsulfonylphenyl)-oxomethyl]-2,3-dihydro-1H-pyrrolizine-1-carbonitrile IUPAC Name: 5-(3-butylsulfonylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carbonitrile Traditional Name: 5-(3-butylsulfonylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carbonitrile Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)C1=CC=CC(=C1)C(=O)C2=CC=C3N2CCC3C#N

Isomeric SMILES

CCCCS(=O)(=O)C1=CC=CC(=C1)C(=O)C2=CC=C3N2CCC3C#N

InChI

InChI=1S/C19H20N2O3S/c1-2-3-11-25(23,24)16-6-4-5-14(12-16)19(22)18-8-7-17-15(13-20)9-10-21(17)18/h4-8,12,15H,2-3,9-11H2,1H3