2-[(3,4-dimethoxyphenyl)-methylsulfonyl-amino]-N-(pyridin-4-ylmethyl)ethanamide

Systemtic Name: 2-[(3,4-dimethoxyphenyl)-methylsulfonyl-amino]-N-(pyridin-4-ylmethyl)ethanamide Openeye Name: 2-(3,4-dimethoxy-N-methylsulfonyl-anilino)-N-(4-pyridylmethyl)acetamide CAS Name: 2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide IUPAC Name: 2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide Traditional Name: 2-(N-mesyl-3,4-dimethoxy-anilino)-N-(4-pyridylmethyl)acetamide Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(CC(=O)NCC2=CC=NC=C2)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N(CC(=O)NCC2=CC=NC=C2)S(=O)(=O)C)OC

InChI

InChI=1S/C17H21N3O5S/c1-24-15-5-4-14(10-16(15)25-2)20(26(3,22)23)12-17(21)19-11-13-6-8-18-9-7-13/h4-10H,11-12H2,1-3H3,(H,19,21)