1-[4-(azepan-1-ylsulfonyl)phenyl]-2-quinazolin-4-yloxy-ethanone

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-2-quinazolin-4-yloxy-ethanone Openeye Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-2-quinazolin-4-yloxy-ethanone CAS Name: 1-[4-(1-azepanylsulfonyl)phenyl]-2-(4-quinazolinyloxy)ethanone IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-2-quinazolin-4-yloxyethanone Traditional Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-2-quinazolin-4-yloxy-ethanone Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)COC3=NC=NC4=CC=CC=C43

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)COC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C22H23N3O4S/c26-21(15-29-22-19-7-3-4-8-20(19)23-16-24-22)17-9-11-18(12-10-17)30(27,28)25-13-5-1-2-6-14-25/h3-4,7-12,16H,1-2,5-6,13-15H2