3-pyrrolidin-1-ylsulfonyl-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide

Systemtic Name: 3-pyrrolidin-1-ylsulfonyl-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide Openeye Name: 3-pyrrolidin-1-ylsulfonyl-N-[(E)-(2,4,5-trimethoxyphenyl)methyleneamino]benzamide CAS Name: 3-(1-pyrrolidinylsulfonyl)-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide IUPAC Name: 3-pyrrolidin-1-ylsulfonyl-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide Traditional Name: 3-pyrrolidinosulfonyl-N-[(E)-(2,4,5-trimethoxybenzylidene)amino]benzamide Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C=NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1/C=N/NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)OC)OC

InChI

InChI=1S/C21H25N3O6S/c1-28-18-13-20(30-3)19(29-2)12-16(18)14-22-23-21(25)15-7-6-8-17(11-15)31(26,27)24-9-4-5-10-24/h6-8,11-14H,4-5,9-10H2,1-3H3,(H,23,25)/b22-14+