methyl 3-[(E)-dimethylaminomethylideneamino]sulfonyl-4-phenoxy-5-pyrrolidin-1-yl-benzoate

Systemtic Name: methyl 3-[(E)-dimethylaminomethylideneamino]sulfonyl-4-phenoxy-5-pyrrolidin-1-yl-benzoate Openeye Name: methyl 3-[(E)-dimethylaminomethyleneamino]sulfonyl-4-phenoxy-5-pyrrolidin-1-yl-benzoate CAS Name: 3-[(E)-dimethylaminomethylideneamino]sulfonyl-4-phenoxy-5-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(E)-dimethylaminomethylideneamino]sulfonyl-4-phenoxy-5-pyrrolidin-1-ylbenzoate Traditional Name: 3-[(E)-dimethylaminomethyleneamino]sulfonyl-4-phenoxy-5-pyrrolidino-benzoic acid methyl ester Formula: C21H25N3O5S MolecularWeight: 431.5053

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C=NS(=O)(=O)C1=CC(=CC(=C1OC2=CC=CC=C2)N3CCCC3)C(=O)OC

Isomeric SMILES

CN(C)/C=N/S(=O)(=O)C1=CC(=CC(=C1OC2=CC=CC=C2)N3CCCC3)C(=O)OC

InChI

InChI=1S/C21H25N3O5S/c1-23(2)15-22-30(26,27)19-14-16(21(25)28-3)13-18(24-11-7-8-12-24)20(19)29-17-9-5-4-6-10-17/h4-6,9-10,13-15H,7-8,11-12H2,1-3H3/b22-15+