N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-5-ethyl-furan-2-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-5-ethyl-furan-2-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-5-ethyl-furan-2-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-5-ethyl-2-furancarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-5-ethylfuran-2-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-5-ethyl-2-furamide Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(O1)C(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCC1=CC=C(O1)C(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H26N2O4S/c1-3-17-10-11-18(26-17)20(23)21-16-9-8-15(2)19(14-16)27(24,25)22-12-6-4-5-7-13-22/h8-11,14H,3-7,12-13H2,1-2H3,(H,21,23)