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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C=NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)OC)OC

Isomeric SMILES

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

InChI

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