[2-azanylidene-2-[1-(4-chlorophenyl)sulfonylpyrrol-3-yl]ethyl] hexanoate

Systemtic Name: [2-azanylidene-2-[1-(4-chlorophenyl)sulfonylpyrrol-3-yl]ethyl] hexanoate Openeye Name: [2-[1-(4-chlorophenyl)sulfonylpyrrol-3-yl]-2-imino-ethyl] hexanoate CAS Name: hexanoic acid [2-[1-(4-chlorophenyl)sulfonyl-3-pyrrolyl]-2-iminoethyl] ester IUPAC Name: [2-[1-(4-chlorophenyl)sulfonylpyrrol-3-yl]-2-iminoethyl] hexanoate Traditional Name: hexanoic acid [2-[1-(4-chlorophenyl)sulfonylpyrrol-3-yl]-2-imino-ethyl] ester Formula: C18H21ClN2O4S MolecularWeight: 396.88834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN2O4S/c1-2-3-4-5-18(22)25-13-17(20)14-10-11-21(12-14)26(23,24)16-8-6-15(19)7-9-16/h6-12,20H,2-5,13H2,1H3