methyl 4-[[(3,4-dimethylphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzoate

Systemtic Name: methyl 4-[[(3,4-dimethylphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzoate Openeye Name: methyl 4-[[(3,4-dimethylphenyl)sulfonyl-(2-furylmethyl)amino]methyl]benzoate CAS Name: 4-[[(3,4-dimethylphenyl)sulfonyl-(2-furanylmethyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(3,4-dimethylphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzoate Traditional Name: 4-[[(3,4-dimethylphenyl)sulfonyl-(2-furfuryl)amino]methyl]benzoic acid methyl ester Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)C(=O)OC)CC3=CC=CO3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)C(=O)OC)CC3=CC=CO3)C

InChI

InChI=1S/C22H23NO5S/c1-16-6-11-21(13-17(16)2)29(25,26)23(15-20-5-4-12-28-20)14-18-7-9-19(10-8-18)22(24)27-3/h4-13H,14-15H2,1-3H3