[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxidanylidene-ethyl] 3-morpholin-4-ylsulfonylbenzoate

Systemtic Name: [2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxidanylidene-ethyl] 3-morpholin-4-ylsulfonylbenzoate Openeye Name: [2-[methyl(p-tolylmethyl)amino]-2-oxo-ethyl] 3-morpholinosulfonylbenzoate CAS Name: 3-(4-morpholinylsulfonyl)benzoic acid [2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate Traditional Name: 3-morpholinosulfonylbenzoic acid [2-keto-2-[methyl-(4-methylbenzyl)amino]ethyl] ester Formula: C22H26N2O6S MolecularWeight: 446.51664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(C)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)CN(C)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C22H26N2O6S/c1-17-6-8-18(9-7-17)15-23(2)21(25)16-30-22(26)19-4-3-5-20(14-19)31(27,28)24-10-12-29-13-11-24/h3-9,14H,10-13,15-16H2,1-2H3