[2-[bis(phenylmethyl)amino]-2-oxidanylidene-ethyl] 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-[bis(phenylmethyl)amino]-2-oxidanylidene-ethyl] 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(dibenzylamino)-2-oxo-ethyl] 4-bromo-3-morpholinosulfonyl-benzoate CAS Name: 4-bromo-3-(4-morpholinylsulfonyl)benzoic acid [2-[bis(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-(dibenzylamino)-2-oxoethyl] 4-bromo-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-bromo-3-morpholinosulfonyl-benzoic acid [2-(dibenzylamino)-2-keto-ethyl] ester Formula: C27H27BrN2O6S MolecularWeight: 587.48208

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4)Br

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4)Br

InChI

InChI=1S/C27H27BrN2O6S/c28-24-12-11-23(17-25(24)37(33,34)30-13-15-35-16-14-30)27(32)36-20-26(31)29(18-21-7-3-1-4-8-21)19-22-9-5-2-6-10-22/h1-12,17H,13-16,18-20H2