N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[3-(diethylamino)phenoxy]ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[3-(diethylamino)phenoxy]ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[3-(diethylamino)phenoxy]acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-[3-(diethylamino)phenoxy]acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-[3-(diethylamino)phenoxy]acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[3-(diethylamino)phenoxy]acetamide Formula: C25H35N3O5S MolecularWeight: 489.6275

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=CC=C1)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CCN(CC)C1=CC(=CC=C1)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C25H35N3O5S/c1-4-27(5-2)20-11-10-12-21(17-20)33-19-25(29)26-23-18-22(13-14-24(23)32-3)34(30,31)28-15-8-6-7-9-16-28/h10-14,17-18H,4-9,15-16,19H2,1-3H3,(H,26,29)