N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-2-phenoxy-propanamide

Systemtic Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-2-phenoxy-propanamide Openeye Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-2-phenoxy-propanamide CAS Name: N-[2-(1-azepanyl)-5-(4-morpholinylsulfonyl)phenyl]-2-phenoxypropanamide IUPAC Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-2-phenoxypropanamide Traditional Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-2-phenoxy-propionamide Formula: C25H33N3O5S MolecularWeight: 487.61162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)N3CCCCCC3)OC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)N3CCCCCC3)OC4=CC=CC=C4

InChI

InChI=1S/C25H33N3O5S/c1-20(33-21-9-5-4-6-10-21)25(29)26-23-19-22(34(30,31)28-15-17-32-18-16-28)11-12-24(23)27-13-7-2-3-8-14-27/h4-6,9-12,19-20H,2-3,7-8,13-18H2,1H3,(H,26,29)