N-(3-imidazol-1-ylphenyl)-9-methylsulfonyl-2,3-dihydro-1-benzoxepine-4-carboxamide

Systemtic Name: N-(3-imidazol-1-ylphenyl)-9-methylsulfonyl-2,3-dihydro-1-benzoxepine-4-carboxamide Openeye Name: N-(3-imidazol-1-ylphenyl)-9-methylsulfonyl-2,3-dihydro-1-benzoxepine-4-carboxamide CAS Name: N-[3-(1-imidazolyl)phenyl]-9-methylsulfonyl-2,3-dihydro-1-benzoxepin-4-carboxamide IUPAC Name: N-(3-imidazol-1-ylphenyl)-9-methylsulfonyl-2,3-dihydro-1-benzoxepine-4-carboxamide Traditional Name: N-(3-imidazol-1-ylphenyl)-9-mesyl-2,3-dihydro-1-benzoxepin-4-carboxamide Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC2=C1OCCC(=C2)C(=O)NC3=CC=CC(=C3)N4C=CN=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=CC2=C1OCCC(=C2)C(=O)NC3=CC=CC(=C3)N4C=CN=C4

InChI

InChI=1S/C21H19N3O4S/c1-29(26,27)19-7-2-4-15-12-16(8-11-28-20(15)19)21(25)23-17-5-3-6-18(13-17)24-10-9-22-14-24/h2-7,9-10,12-14H,8,11H2,1H3,(H,23,25)