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

Systemtic Name: 2-methoxy-N-[[1-(2-methylimidazol-1-yl)sulfonyl-4-phenyl-azepan-4-yl]methyl]benzamide Openeye Name: 2-methoxy-N-[[1-(2-methylimidazol-1-yl)sulfonyl-4-phenyl-azepan-4-yl]methyl]benzamide CAS Name: 2-methoxy-N-[[1-[(2-methyl-1-imidazolyl)sulfonyl]-4-phenyl-4-azepanyl]methyl]benzamide IUPAC Name: 2-methoxy-N-[[1-(2-methylimidazol-1-yl)sulfonyl-4-phenylazepan-4-yl]methyl]benzamide Traditional Name: 2-methoxy-N-[[1-(2-methylimidazol-1-yl)sulfonyl-4-phenyl-azepan-4-yl]methyl]benzamide Formula: C25H30N4O4S MolecularWeight: 482.5951

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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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O4S/c1-20-26-15-18-29(20)34(31,32)28-16-8-13-25(14-17-28,21-9-4-3-5-10-21)19-27-24(30)22-11-6-7-12-23(22)33-2/h3-7,9-12,15,18H,8,13-14,16-17,19H2,1-2H3,(H,27,30)