[(E)-1-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]ethylideneamino] 4-(dipropylsulfamoyl)benzoate

Systemtic Name: [(E)-1-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]ethylideneamino] 4-(dipropylsulfamoyl)benzoate Openeye Name: [(E)-1-[4-methoxy-3-(2-pyridylsulfanylmethyl)phenyl]ethylideneamino] 4-(dipropylsulfamoyl)benzoate CAS Name: 4-(dipropylsulfamoyl)benzoic acid [(E)-1-[4-methoxy-3-[(2-pyridinylthio)methyl]phenyl]ethylideneamino] ester IUPAC Name: [(E)-1-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]ethylideneamino] 4-(dipropylsulfamoyl)benzoate Traditional Name: 4-(dipropylsulfamoyl)benzoic acid [(E)-1-[4-methoxy-3-[(2-pyridylthio)methyl]phenyl]ethylideneamino] ester Formula: C28H33N3O5S2 MolecularWeight: 555.70872

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)ON=C(C)C2=CC(=C(C=C2)OC)CSC3=CC=CC=N3

Isomeric SMILES

CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O/N=C(\C)/C2=CC(=C(C=C2)OC)CSC3=CC=CC=N3

InChI

InChI=1S/C28H33N3O5S2/c1-5-17-31(18-6-2)38(33,34)25-13-10-22(11-14-25)28(32)36-30-21(3)23-12-15-26(35-4)24(19-23)20-37-27-9-7-8-16-29-27/h7-16,19H,5-6,17-18,20H2,1-4H3/b30-21+