N-[[1-(2,3-dimethylimidazol-3-ium-1-yl)sulfonyl-4-phenyl-azepan-4-yl]methyl]-2-methoxy-benzamide

Systemtic Name: N-[[1-(2,3-dimethylimidazol-3-ium-1-yl)sulfonyl-4-phenyl-azepan-4-yl]methyl]-2-methoxy-benzamide Openeye Name: N-[[1-(2,3-dimethylimidazol-3-ium-1-yl)sulfonyl-4-phenyl-azepan-4-yl]methyl]-2-methoxy-benzamide CAS Name: N-[[1-[(2,3-dimethyl-1-imidazol-3-iumyl)sulfonyl]-4-phenyl-4-azepanyl]methyl]-2-methoxybenzamide IUPAC Name: N-[[1-(2,3-dimethylimidazol-3-ium-1-yl)sulfonyl-4-phenylazepan-4-yl]methyl]-2-methoxybenzamide Traditional Name: N-[[1-(2,3-dimethylimidazol-3-ium-1-yl)sulfonyl-4-phenyl-azepan-4-yl]methyl]-2-methoxy-benzamide Formula: C26H33N4O4S+ MolecularWeight: 497.62962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CN1S(=O)(=O)N2CCCC(CC2)(CNC(=O)C3=CC=CC=C3OC)C4=CC=CC=C4)C

Isomeric SMILES

CC1=[N+](C=CN1S(=O)(=O)N2CCCC(CC2)(CNC(=O)C3=CC=CC=C3OC)C4=CC=CC=C4)C

InChI

InChI=1S/C26H32N4O4S/c1-21-28(2)18-19-30(21)35(32,33)29-16-9-14-26(15-17-29,22-10-5-4-6-11-22)20-27-25(31)23-12-7-8-13-24(23)34-3/h4-8,10-13,18-19H,9,14-17,20H2,1-3H3/p+1