[1-oxidanylidene-1-(1-phenylbutylamino)propan-2-yl] 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [1-oxidanylidene-1-(1-phenylbutylamino)propan-2-yl] 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [1-methyl-2-oxo-2-(1-phenylbutylamino)ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [1-oxo-1-(1-phenylbutylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(1-phenylbutylamino)propan-2-yl] 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [2-keto-1-methyl-2-(1-phenylbutylamino)ethyl] ester Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCCC(C1=CC=CC=C1)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C24H30N2O5S/c1-3-9-22(19-10-5-4-6-11-19)25-23(27)18(2)31-24(28)20-12-14-21(15-13-20)32(29,30)26-16-7-8-17-26/h4-6,10-15,18,22H,3,7-9,16-17H2,1-2H3,(H,25,27)