N-[[4-(3-fluorophenyl)-1-(2-methylimidazol-1-yl)sulfonyl-azepan-4-yl]methyl]-2-methoxy-benzamide

Systemtic Name: N-[[4-(3-fluorophenyl)-1-(2-methylimidazol-1-yl)sulfonyl-azepan-4-yl]methyl]-2-methoxy-benzamide Openeye Name: N-[[4-(3-fluorophenyl)-1-(2-methylimidazol-1-yl)sulfonyl-azepan-4-yl]methyl]-2-methoxy-benzamide CAS Name: N-[[4-(3-fluorophenyl)-1-[(2-methyl-1-imidazolyl)sulfonyl]-4-azepanyl]methyl]-2-methoxybenzamide IUPAC Name: N-[[4-(3-fluorophenyl)-1-(2-methylimidazol-1-yl)sulfonylazepan-4-yl]methyl]-2-methoxybenzamide Traditional Name: N-[[4-(3-fluorophenyl)-1-(2-methylimidazol-1-yl)sulfonyl-azepan-4-yl]methyl]-2-methoxy-benzamide Formula: C25H29FN4O4S MolecularWeight: 500.585563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1S(=O)(=O)N2CCCC(CC2)(CNC(=O)C3=CC=CC=C3OC)C4=CC(=CC=C4)F

Isomeric SMILES

CC1=NC=CN1S(=O)(=O)N2CCCC(CC2)(CNC(=O)C3=CC=CC=C3OC)C4=CC(=CC=C4)F

InChI

InChI=1S/C25H29FN4O4S/c1-19-27-13-16-30(19)35(32,33)29-14-6-11-25(12-15-29,20-7-5-8-21(26)17-20)18-28-24(31)22-9-3-4-10-23(22)34-2/h3-5,7-10,13,16-17H,6,11-12,14-15,18H2,1-2H3,(H,28,31)