[2-(naphthalen-2-ylamino)-2-oxidanylidene-ethyl] 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-(naphthalen-2-ylamino)-2-oxidanylidene-ethyl] 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-(2-naphthylamino)-2-oxo-ethyl] 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid [2-(2-naphthalenylamino)-2-oxoethyl] ester IUPAC Name: [2-(naphthalen-2-ylamino)-2-oxoethyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid [2-keto-2-(2-naphthylamino)ethyl] ester Formula: C23H21ClN2O5S MolecularWeight: 472.94124

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=CC4=CC=CC=C4C=C3)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=CC4=CC=CC=C4C=C3)Cl

InChI

InChI=1S/C23H21ClN2O5S/c24-20-10-8-18(14-21(20)32(29,30)26-11-3-4-12-26)23(28)31-15-22(27)25-19-9-7-16-5-1-2-6-17(16)13-19/h1-2,5-10,13-14H,3-4,11-12,15H2,(H,25,27)