butyl 4-[2-[(4-ethoxy-3-methyl-phenyl)sulfonyl-methyl-amino]ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[(4-ethoxy-3-methyl-phenyl)sulfonyl-methyl-amino]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[(4-ethoxy-3-methyl-phenyl)sulfonyl-methyl-amino]acetyl]amino]benzoate CAS Name: 4-[[2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4-ethoxy-3-methyl-phenyl)sulfonyl-methyl-amino]acetyl]amino]benzoic acid butyl ester Formula: C23H30N2O6S MolecularWeight: 462.5591

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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)OCC)C

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O6S/c1-5-7-14-31-23(27)18-8-10-19(11-9-18)24-22(26)16-25(4)32(28,29)20-12-13-21(30-6-2)17(3)15-20/h8-13,15H,5-7,14,16H2,1-4H3,(H,24,26)