methyl 4-[(2-morpholin-4-ylsulfonylphenyl)methylcarbamoyl]benzoate

Systemtic Name: methyl 4-[(2-morpholin-4-ylsulfonylphenyl)methylcarbamoyl]benzoate Openeye Name: methyl 4-[(2-morpholinosulfonylphenyl)methylcarbamoyl]benzoate CAS Name: 4-[[[2-(4-morpholinylsulfonyl)phenyl]methylamino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-morpholin-4-ylsulfonylphenyl)methylcarbamoyl]benzoate Traditional Name: 4-[(2-morpholinosulfonylbenzyl)carbamoyl]benzoic acid methyl ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H22N2O6S/c1-27-20(24)16-8-6-15(7-9-16)19(23)21-14-17-4-2-3-5-18(17)29(25,26)22-10-12-28-13-11-22/h2-9H,10-14H2,1H3,(H,21,23)