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

Systemtic Name: ethyl 4-[[3-methoxypropyl-[(4-methylsulfonyloxyphenyl)methyl]carbamoyl]amino]benzoate Openeye Name: ethyl 4-[[3-methoxypropyl-[(4-methylsulfonyloxyphenyl)methyl]carbamoyl]amino]benzoate CAS Name: 4-[[[3-methoxypropyl-[(4-methylsulfonyloxyphenyl)methyl]amino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-methoxypropyl-[(4-methylsulfonyloxyphenyl)methyl]carbamoyl]amino]benzoate Traditional Name: 4-[[3-methoxypropyl-(4-methylsulfonyloxybenzyl)carbamoyl]amino]benzoic acid ethyl ester Formula: C22H28N2O7S MolecularWeight: 464.53192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O7S/c1-4-30-21(25)18-8-10-19(11-9-18)23-22(26)24(14-5-15-29-2)16-17-6-12-20(13-7-17)31-32(3,27)28/h6-13H,4-5,14-16H2,1-3H3,(H,23,26)