4-[(3-cyclopropyloxy-4-methoxy-phenyl)-(pyridin-3-ylmethyl)amino]-N-(4-fluorophenyl)sulfonyl-benzamide

Systemtic Name: 4-[(3-cyclopropyloxy-4-methoxy-phenyl)-(pyridin-3-ylmethyl)amino]-N-(4-fluorophenyl)sulfonyl-benzamide Openeye Name: 4-[3-(cyclopropoxy)-4-methoxy-N-(3-pyridylmethyl)anilino]-N-(4-fluorophenyl)sulfonyl-benzamide CAS Name: 4-[3-cyclopropyloxy-4-methoxy-N-(3-pyridinylmethyl)anilino]-N-(4-fluorophenyl)sulfonylbenzamide IUPAC Name: 4-[3-cyclopropyloxy-4-methoxy-N-(pyridin-3-ylmethyl)anilino]-N-(4-fluorophenyl)sulfonylbenzamide Traditional Name: 4-[3-(cyclopropoxy)-4-methoxy-N-(3-pyridylmethyl)anilino]-N-(4-fluorophenyl)sulfonyl-benzamide Formula: C29H26FN3O5S MolecularWeight: 547.597243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(CC2=CN=CC=C2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC=C(C=C4)F)OC5CC5

Isomeric SMILES

COC1=C(C=C(C=C1)N(CC2=CN=CC=C2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC=C(C=C4)F)OC5CC5

InChI

InChI=1S/C29H26FN3O5S/c1-37-27-15-10-24(17-28(27)38-25-11-12-25)33(19-20-3-2-16-31-18-20)23-8-4-21(5-9-23)29(34)32-39(35,36)26-13-6-22(30)7-14-26/h2-10,13-18,25H,11-12,19H2,1H3,(H,32,34)