[2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-(o-tolylmethylamino)-2-oxo-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [2-[(2-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [2-keto-2-[(2-methylbenzyl)amino]ethyl] ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H24N2O5S/c1-16-6-2-3-7-18(16)14-22-20(24)15-28-21(25)17-8-10-19(11-9-17)29(26,27)23-12-4-5-13-23/h2-3,6-11H,4-5,12-15H2,1H3,(H,22,24)