N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[2-(2-ethoxyphenyl)thiazol-4-yl]acetamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-[2-(2-ethoxyphenyl)-4-thiazolyl]acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(2-o-phenetylthiazol-4-yl)acetamide Formula: C25H29N3O4S2 MolecularWeight: 499.64546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NC(=CS2)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CCOC1=CC=CC=C1C2=NC(=CS2)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H29N3O4S2/c1-2-32-23-13-6-5-12-22(23)25-27-20(18-33-25)17-24(29)26-19-10-9-11-21(16-19)34(30,31)28-14-7-3-4-8-15-28/h5-6,9-13,16,18H,2-4,7-8,14-15,17H2,1H3,(H,26,29)