[(E)-1-[1-(phenylsulfonyl)pyrrol-3-yl]ethylideneamino] hexanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)ON=C(C)C1=CN(C=C1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4S/c1-3-4-6-11-18(21)24-19-15(2)16-12-13-20(14-16)25(22,23)17-9-7-5-8-10-17/h5,7-10,12-14H,3-4,6,11H2,1-2H3/b19-15+