[2-[bis(phenylmethyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[bis(phenylmethyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-(dibenzylamino)-2-oxo-ethyl] 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid [2-[bis(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-(dibenzylamino)-2-oxoethyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid [2-(dibenzylamino)-2-keto-ethyl] ester Formula: C27H27ClN2O5S MolecularWeight: 527.03168

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C27H27ClN2O5S/c28-24-14-13-23(17-25(24)36(33,34)30-15-7-8-16-30)27(32)35-20-26(31)29(18-21-9-3-1-4-10-21)19-22-11-5-2-6-12-22/h1-6,9-14,17H,7-8,15-16,18-20H2