[[1-oxidanylidene-3-phenyl-1-(4-pyrrolidin-1-ylphenoxy)propan-2-yl]-(phenylsulfonyl)amino] butanoate

Systemtic Name: [[1-oxidanylidene-3-phenyl-1-(4-pyrrolidin-1-ylphenoxy)propan-2-yl]-(phenylsulfonyl)amino] butanoate Openeye Name: [benzenesulfonyl-[1-benzyl-2-oxo-2-(4-pyrrolidin-1-ylphenoxy)ethyl]amino] butanoate CAS Name: butanoic acid [benzenesulfonyl-[1-oxo-3-phenyl-1-[4-(1-pyrrolidinyl)phenoxy]propan-2-yl]amino] ester IUPAC Name: [benzenesulfonyl-[1-oxo-3-phenyl-1-(4-pyrrolidin-1-ylphenoxy)propan-2-yl]amino] butanoate Traditional Name: butyric acid [[1-benzyl-2-keto-2-(4-pyrrolidinophenoxy)ethyl]-besyl-amino] ester Formula: C29H32N2O6S MolecularWeight: 536.63918

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)ON(C(CC1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)N3CCCC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCCC(=O)ON(C(CC1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)N3CCCC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H32N2O6S/c1-2-11-28(32)37-31(38(34,35)26-14-7-4-8-15-26)27(22-23-12-5-3-6-13-23)29(33)36-25-18-16-24(17-19-25)30-20-9-10-21-30/h3-8,12-19,27H,2,9-11,20-22H2,1H3