[2-azanylidene-2-[1-(phenylsulfonyl)pyrrol-3-yl]ethyl] hexanoate

Systemtic Name: [2-azanylidene-2-[1-(phenylsulfonyl)pyrrol-3-yl]ethyl] hexanoate Openeye Name: [2-[1-(benzenesulfonyl)pyrrol-3-yl]-2-imino-ethyl] hexanoate CAS Name: hexanoic acid [2-[1-(benzenesulfonyl)-3-pyrrolyl]-2-iminoethyl] ester IUPAC Name: [2-[1-(benzenesulfonyl)pyrrol-3-yl]-2-iminoethyl] hexanoate Traditional Name: hexanoic acid [2-(1-besylpyrrol-3-yl)-2-imino-ethyl] ester Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OCC(=N)C1=CN(C=C1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCC(=O)OCC(=N)C1=CN(C=C1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H22N2O4S/c1-2-3-5-10-18(21)24-14-17(19)15-11-12-20(13-15)25(22,23)16-8-6-4-7-9-16/h4,6-9,11-13,19H,2-3,5,10,14H2,1H3