3-[2-[[ethanoyl-(2-phenoxypyridin-3-yl)amino]methyl]-4-methoxy-phenoxy]propyl 4-methylbenzenesulfonate

Systemtic Name: 3-[2-[[ethanoyl-(2-phenoxypyridin-3-yl)amino]methyl]-4-methoxy-phenoxy]propyl 4-methylbenzenesulfonate Openeye Name: 3-[2-[[acetyl-(2-phenoxy-3-pyridyl)amino]methyl]-4-methoxy-phenoxy]propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-[2-[[acetyl-(2-phenoxy-3-pyridinyl)amino]methyl]-4-methoxyphenoxy]propyl ester IUPAC Name: 3-[2-[[acetyl-(2-phenoxypyridin-3-yl)amino]methyl]-4-methoxyphenoxy]propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-[2-[[acetyl-(2-phenoxy-3-pyridyl)amino]methyl]-4-methoxy-phenoxy]propyl ester Formula: C31H32N2O7S MolecularWeight: 576.65998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCOC2=C(C=C(C=C2)OC)CN(C3=C(N=CC=C3)OC4=CC=CC=C4)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCOC2=C(C=C(C=C2)OC)CN(C3=C(N=CC=C3)OC4=CC=CC=C4)C(=O)C

InChI

InChI=1S/C31H32N2O7S/c1-23-12-15-28(16-13-23)41(35,36)39-20-8-19-38-30-17-14-27(37-3)21-25(30)22-33(24(2)34)29-11-7-18-32-31(29)40-26-9-5-4-6-10-26/h4-7,9-18,21H,8,19-20,22H2,1-3H3