[2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-(dimethylamino)-2-oxo-1-phenyl-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [2-(dimethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(dimethylamino)-2-oxo-1-phenylethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [2-(dimethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C(C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CN(C)C(=O)C(C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H24N2O5S/c1-22(2)20(24)19(16-8-4-3-5-9-16)28-21(25)17-10-12-18(13-11-17)29(26,27)23-14-6-7-15-23/h3-5,8-13,19H,6-7,14-15H2,1-2H3