2-[1-(dimethylamino)-5-[4-(3-ethylheptylsulfonyl)phenyl]-4-oxidanylidene-pyridin-3-yl]-5-ethyl-benzoic acid

Systemtic Name: 2-[1-(dimethylamino)-5-[4-(3-ethylheptylsulfonyl)phenyl]-4-oxidanylidene-pyridin-3-yl]-5-ethyl-benzoic acid Openeye Name: 2-[1-(dimethylamino)-5-[4-(3-ethylheptylsulfonyl)phenyl]-4-oxo-3-pyridyl]-5-ethyl-benzoic acid CAS Name: 2-[1-(dimethylamino)-5-[4-(3-ethylheptylsulfonyl)phenyl]-4-oxo-3-pyridinyl]-5-ethylbenzoic acid IUPAC Name: 2-[1-(dimethylamino)-5-[4-(3-ethylheptylsulfonyl)phenyl]-4-oxopyridin-3-yl]-5-ethylbenzoic acid Traditional Name: 2-[1-(dimethylamino)-5-[4-(3-ethylheptylsulfonyl)phenyl]-4-keto-3-pyridyl]-5-ethyl-benzoic acid Formula: C31H40N2O5S MolecularWeight: 552.7247

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CCS(=O)(=O)C1=CC=C(C=C1)C2=CN(C=C(C2=O)C3=C(C=C(C=C3)CC)C(=O)O)N(C)C

Isomeric SMILES

CCCCC(CC)CCS(=O)(=O)C1=CC=C(C=C1)C2=CN(C=C(C2=O)C3=C(C=C(C=C3)CC)C(=O)O)N(C)C

InChI

InChI=1S/C31H40N2O5S/c1-6-9-10-22(7-2)17-18-39(37,38)25-14-12-24(13-15-25)28-20-33(32(4)5)21-29(30(28)34)26-16-11-23(8-3)19-27(26)31(35)36/h11-16,19-22H,6-10,17-18H2,1-5H3,(H,35,36)