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

Systemtic Name: 1-[2-methyl-1-(phenylsulfonyl)pyrrol-3-yl]propan-1-one Openeye Name: 1-[1-(benzenesulfonyl)-2-methyl-pyrrol-3-yl]propan-1-one CAS Name: 1-[1-(benzenesulfonyl)-2-methyl-3-pyrrolyl]-1-propanone IUPAC Name: 1-[1-(benzenesulfonyl)-2-methylpyrrol-3-yl]propan-1-one Traditional Name: 1-(1-besyl-2-methyl-pyrrol-3-yl)propan-1-one Formula: C14H15NO3S MolecularWeight: 277.3388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO3S/c1-3-14(16)13-9-10-15(11(13)2)19(17,18)12-7-5-4-6-8-12/h4-10H,3H2,1-2H3