[2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-yl-benzoate Openeye Name: [2-(1-methylbutylamino)-2-oxo-ethyl] 5-(1-piperidylsulfonyl)-2-pyrrolidin-1-yl-benzoate CAS Name: 5-(1-piperidinylsulfonyl)-2-(1-pyrrolidinyl)benzoic acid [2-oxo-2-(pentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-2-ylamino)ethyl] 5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-piperidinosulfonyl-2-pyrrolidino-benzoic acid [2-keto-2-(1-methylbutylamino)ethyl] ester Formula: C23H35N3O5S MolecularWeight: 465.6061

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CCCC3

Isomeric SMILES

CCCC(C)NC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CCCC3

InChI

InChI=1S/C23H35N3O5S/c1-3-9-18(2)24-22(27)17-31-23(28)20-16-19(10-11-21(20)25-12-7-8-13-25)32(29,30)26-14-5-4-6-15-26/h10-11,16,18H,3-9,12-15,17H2,1-2H3,(H,24,27)