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

Systemtic Name: [2-[(4-dimethylaminophenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-[4-(dimethylamino)anilino]-2-oxo-ethyl] 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid [2-[4-(dimethylamino)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(dimethylamino)anilino]-2-oxoethyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid [2-[4-(dimethylamino)anilino]-2-keto-ethyl] ester Formula: C21H24ClN3O5S MolecularWeight: 465.95036

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H24ClN3O5S/c1-24(2)17-8-6-16(7-9-17)23-20(26)14-30-21(27)15-5-10-18(22)19(13-15)31(28,29)25-11-3-4-12-25/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,23,26)