[1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl] 2-methyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl] 2-methyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: 1-(benzylcarbamoyl)propyl 2-methyl-5-morpholinosulfonyl-benzoate CAS Name: 2-methyl-5-(4-morpholinylsulfonyl)benzoic acid [1-oxo-1-[(phenylmethyl)amino]butan-2-yl] ester IUPAC Name: [1-(benzylamino)-1-oxobutan-2-yl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-methyl-5-morpholinosulfonyl-benzoic acid 1-(benzylcarbamoyl)propyl ester Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)C

Isomeric SMILES

CCC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)C

InChI

InChI=1S/C23H28N2O6S/c1-3-21(22(26)24-16-18-7-5-4-6-8-18)31-23(27)20-15-19(10-9-17(20)2)32(28,29)25-11-13-30-14-12-25/h4-10,15,21H,3,11-14,16H2,1-2H3,(H,24,26)