2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-N-[(4-fluorophenyl)methyl]ethanamide

Systemtic Name: 2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-N-[(4-fluorophenyl)methyl]ethanamide Openeye Name: 2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-N-[(4-fluorophenyl)methyl]acetamide CAS Name: 2-[5-(1-azepanylsulfonyl)-2-methoxyanilino]-N-[(4-fluorophenyl)methyl]acetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-N-[(4-fluorophenyl)methyl]acetamide Traditional Name: 2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-N-(4-fluorobenzyl)acetamide Formula: C22H28FN3O4S MolecularWeight: 449.538823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NCC(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NCC(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C22H28FN3O4S/c1-30-21-11-10-19(31(28,29)26-12-4-2-3-5-13-26)14-20(21)24-16-22(27)25-15-17-6-8-18(23)9-7-17/h6-11,14,24H,2-5,12-13,15-16H2,1H3,(H,25,27)