2-[3-(hydroxymethyl)pyrrol-1-yl]sulfonyl-6-methyl-benzenecarbonitrile

Systemtic Name: 2-[3-(hydroxymethyl)pyrrol-1-yl]sulfonyl-6-methyl-benzenecarbonitrile Openeye Name: 2-[3-(hydroxymethyl)pyrrol-1-yl]sulfonyl-6-methyl-benzonitrile CAS Name: 2-[[3-(hydroxymethyl)-1-pyrrolyl]sulfonyl]-6-methylbenzonitrile IUPAC Name: 2-[3-(hydroxymethyl)pyrrol-1-yl]sulfonyl-6-methylbenzonitrile Traditional Name: 2-methyl-6-(3-methylolpyrrol-1-yl)sulfonyl-benzonitrile Formula: C13H12N2O3S MolecularWeight: 276.31098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)S(=O)(=O)N2C=CC(=C2)CO)C#N

Isomeric SMILES

CC1=C(C(=CC=C1)S(=O)(=O)N2C=CC(=C2)CO)C#N

InChI

InChI=1S/C13H12N2O3S/c1-10-3-2-4-13(12(10)7-14)19(17,18)15-6-5-11(8-15)9-16/h2-6,8,16H,9H2,1H3