butyl 4-[2-[(4-methoxyphenyl)sulfonyl-methyl-amino]ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[(4-methoxyphenyl)sulfonyl-methyl-amino]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[(4-methoxyphenyl)sulfonyl-methyl-amino]acetyl]amino]benzoate CAS Name: 4-[[2-[(4-methoxyphenyl)sulfonyl-methylamino]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[(4-methoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4-methoxyphenyl)sulfonyl-methyl-amino]acetyl]amino]benzoic acid butyl ester Formula: C21H26N2O6S MolecularWeight: 434.50594

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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=CC=C(C=C2)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O6S/c1-4-5-14-29-21(25)16-6-8-17(9-7-16)22-20(24)15-23(2)30(26,27)19-12-10-18(28-3)11-13-19/h6-13H,4-5,14-15H2,1-3H3,(H,22,24)