methyl 4-[[2-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(4-methoxy-3-morpholinosulfonyl-phenyl)acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-(4-methoxy-3-morpholinosulfonyl-phenyl)acetyl]amino]methyl]benzoic acid methyl ester Formula: C22H26N2O7S MolecularWeight: 462.51604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)NCC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)NCC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C22H26N2O7S/c1-29-19-8-5-17(13-20(19)32(27,28)24-9-11-31-12-10-24)14-21(25)23-15-16-3-6-18(7-4-16)22(26)30-2/h3-8,13H,9-12,14-15H2,1-2H3,(H,23,25)