ethyl 4-[[3-methylbutyl-[(4-methylsulfonyloxyphenyl)methyl]carbamoyl]amino]benzoate

Systemtic Name: ethyl 4-[[3-methylbutyl-[(4-methylsulfonyloxyphenyl)methyl]carbamoyl]amino]benzoate Openeye Name: ethyl 4-[[isopentyl-[(4-methylsulfonyloxyphenyl)methyl]carbamoyl]amino]benzoate CAS Name: 4-[[[3-methylbutyl-[(4-methylsulfonyloxyphenyl)methyl]amino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-methylbutyl-[(4-methylsulfonyloxyphenyl)methyl]carbamoyl]amino]benzoate Traditional Name: 4-[[isoamyl-(4-methylsulfonyloxybenzyl)carbamoyl]amino]benzoic acid ethyl ester Formula: C23H30N2O6S MolecularWeight: 462.5591

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)N(CCC(C)C)CC2=CC=C(C=C2)OS(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)N(CCC(C)C)CC2=CC=C(C=C2)OS(=O)(=O)C

InChI

InChI=1S/C23H30N2O6S/c1-5-30-22(26)19-8-10-20(11-9-19)24-23(27)25(15-14-17(2)3)16-18-6-12-21(13-7-18)31-32(4,28)29/h6-13,17H,5,14-16H2,1-4H3,(H,24,27)