butyl 4-[2-[(2,5-dimethoxyphenyl)sulfonyl-methyl-amino]ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[(2,5-dimethoxyphenyl)sulfonyl-methyl-amino]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[(2,5-dimethoxyphenyl)sulfonyl-methyl-amino]acetyl]amino]benzoate CAS Name: 4-[[2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzoate Traditional Name: 4-[[2-[(2,5-dimethoxyphenyl)sulfonyl-methyl-amino]acetyl]amino]benzoic acid butyl ester Formula: C22H28N2O7S MolecularWeight: 464.53192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN(C)S(=O)(=O)C2=C(C=CC(=C2)OC)OC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN(C)S(=O)(=O)C2=C(C=CC(=C2)OC)OC

InChI

InChI=1S/C22H28N2O7S/c1-5-6-13-31-22(26)16-7-9-17(10-8-16)23-21(25)15-24(2)32(27,28)20-14-18(29-3)11-12-19(20)30-4/h7-12,14H,5-6,13,15H2,1-4H3,(H,23,25)