1-[2-methyl-1-(phenylsulfonyl)pyrrol-3-yl]butan-1-one

Systemtic Name: 1-[2-methyl-1-(phenylsulfonyl)pyrrol-3-yl]butan-1-one Openeye Name: 1-[1-(benzenesulfonyl)-2-methyl-pyrrol-3-yl]butan-1-one CAS Name: 1-[1-(benzenesulfonyl)-2-methyl-3-pyrrolyl]-1-butanone IUPAC Name: 1-[1-(benzenesulfonyl)-2-methylpyrrol-3-yl]butan-1-one Traditional Name: 1-(1-besyl-2-methyl-pyrrol-3-yl)butan-1-one Formula: C15H17NO3S MolecularWeight: 291.36538

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(N(C=C1)S(=O)(=O)C2=CC=CC=C2)C

Isomeric SMILES

CCCC(=O)C1=C(N(C=C1)S(=O)(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C15H17NO3S/c1-3-7-15(17)14-10-11-16(12(14)2)20(18,19)13-8-5-4-6-9-13/h4-6,8-11H,3,7H2,1-2H3